N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide

C20H28N4O2 — CID 166434460

IUPACN-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide
SMILESO=C(NC12CCCCCC1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1
InChIInChI=1S/C20H28N4O2/c25-18(15-12-21-24(13-15)16-7-8-16)22-20-9-3-1-2-4-17(20)23(11-10-20)19(26)14-5-6-14/h12-14,16-17H,1-11H2,(H,22,25)
InChIKeyUOHRQCHFBBJEHC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.66
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide

N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide (PubChem CID 166434460) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide
PubChem CID166434460
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide
SMILESO=C(NC12CCCCCC1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1
InChIInChI=1S/C20H28N4O2/c25-18(15-12-21-24(13-15)16-7-8-16)22-20-9-3-1-2-4-17(20)23(11-10-20)19(26)14-5-6-14/h12-14,16-17H,1-11H2,(H,22,25)
InChIKeyUOHRQCHFBBJEHC-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide with MolForge

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Related Compounds

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CID 166306826
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-cyclohexylpyrazole-4-carboxamide
CID 74766888
(2S)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069985
(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069986
1-methyl-N-[1-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]pyrazole-4-carboxamide
CID 171673700
1-cyclopropyl-N-(5-hydroxy-2-adamantyl)pyrazole-4-carboxamide
CID 67020981
(3aR,8aS)-1-[3-(1,2,4-triazol-4-yl)cyclobutanecarbonyl]-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole-3a-carboxylic acid
CID 166284741
cyclopropyl-[4-(4-hydroxypyrazol-1-yl)piperidin-1-yl]methanone
CID 166595328
1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide
CID 167825122
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 167794491

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide (CID 166434460) is N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide is O=C(NC12CCCCCC1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide?
The InChIKey is UOHRQCHFBBJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-18(15-12-21-24(13-15)16-7-8-16)22-20-9-3-1-2-4-17(20)23(11-10-20)19(26)14-5-6-14/h12-14,16-17H,1-11H2,(H,22,25).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide?
N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-3a-yl]-1-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 166434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).