N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide

C21H32N4O2 — CID 155495486

IUPACN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)c1C
InChIInChI=1S/C21H32N4O2/c1-13-14(2)23-24(3)19(13)20(26)22-10-16-17-11-25(15-6-4-5-7-15)12-21(17)9-8-18(16)27-21/h15-18H,4-12H2,1-3H3,(H,22,26)/t16-,17+,18+,21+/m0/s1
InChIKeyHSQFSGAIIQIYGI-XKGFGPFHSA-N
MW372.51 g/mol
LogP2.19
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide (PubChem CID 155495486) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
PubChem CID155495486
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
SMILESCc1nn(C)c(C(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)c1C
InChIInChI=1S/C21H32N4O2/c1-13-14(2)23-24(3)19(13)20(26)22-10-16-17-11-25(15-6-4-5-7-15)12-21(17)9-8-18(16)27-21/h15-18H,4-12H2,1-3H3,(H,22,26)/t16-,17+,18+,21+/m0/s1
InChIKeyHSQFSGAIIQIYGI-XKGFGPFHSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 155498761
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide
CID 155506452
1-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]imidazole-4-carboxamide
CID 155494516
2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155504936
5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155493873
4-chloro-N-[[(1S,5S,6R,7R)-3-(2,3-dihydro-1H-inden-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 155496525
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
CID 155499115
2-methyl-N-[[(1S,5S,6R,7R)-3-(oxan-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-5-carboxamide
CID 155504143
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
CID 155509949
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(3-fluorophenyl)propanamide
CID 155503849
(1S,5S,6R,7R)-6-[[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carboxamide
CID 155491852

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide (CID 155495486) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide is Cc1nn(C)c(C(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)c1C.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide?
The InChIKey is HSQFSGAIIQIYGI-XKGFGPFHSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-13-14(2)23-24(3)19(13)20(26)22-10-16-17-11-25(15-6-4-5-7-15)12-21(17)9-8-18(16)27-21/h15-18H,4-12H2,1-3H3,(H,22,26)/t16-,17+,18+,21+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 155495486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).