N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C17H21N3O3 — CID 97236889

IUPACN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(16-14-6-1-7-15(14)18-19-16)20(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2,4,8,13H,1,3,5-7,9-11H2,(H,18,19)/t13-/m0/s1
InChIKeyRDUVNJKRCNCSFE-ZDUSSCGKSA-N
MW315.37 g/mol
LogP2.31
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 97236889) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID97236889
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(16-14-6-1-7-15(14)18-19-16)20(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2,4,8,13H,1,3,5-7,9-11H2,(H,18,19)/t13-/m0/s1
InChIKeyRDUVNJKRCNCSFE-ZDUSSCGKSA-N
XLogP2.31
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236890
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46999123
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
1-cyclopentyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 122145390
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 42479618
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 29133111
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45235774
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 97236889) is N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RDUVNJKRCNCSFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(16-14-6-1-7-15(14)18-19-16)20(10-12-4-2-8-22-12)11-13-5-3-9-23-13/h2,4,8,13H,1,3,5-7,9-11H2,(H,18,19)/t13-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 97236889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).