(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H20N4OS — CID 56904303

IUPAC(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CC1)C1[C@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)C[C@@H]12
InChIInChI=1S/C17H20N4OS/c22-17(19-10-1-2-10)16-12-8-21(9-13(12)16)7-11-3-4-15(23-11)14-5-6-18-20-14/h3-6,10,12-13,16H,1-2,7-9H2,(H,18,20)(H,19,22)/t12-,13+,16?
InChIKeyXUQNYIPPWRDGGQ-OCZCAGDBSA-N
MW328.44 g/mol
LogP2.09
Rot. Bonds5

About (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 56904303) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID56904303
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CC1)C1[C@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)C[C@@H]12
InChIInChI=1S/C17H20N4OS/c22-17(19-10-1-2-10)16-12-8-21(9-13(12)16)7-11-3-4-15(23-11)14-5-6-18-20-14/h3-6,10,12-13,16H,1-2,7-9H2,(H,18,20)(H,19,22)/t12-,13+,16?
InChIKeyXUQNYIPPWRDGGQ-OCZCAGDBSA-N
XLogP2.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

8-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50970911
7-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decane
CID 56748547
(3S,5S)-5-(cyclopropylcarbamoyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidine-3-carboxylic acid
CID 56864352
7-(cyclobutylmethyl)-2-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
CID 72908392
2-methyl-1-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 37810715
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 136587876
WO2025045746, Example 45
CID 176235848
N-(Cyclopropylmethyl)-3-fluoro-1-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}piperidine-3-carboxamide
CID 132432174
3-Fluoro-3-(pyrrolidine-1-carbonyl)-1-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}piperidine
CID 132448233
N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-thienylmethyl)-4-piperidinecarboxamide
CID 26394881
6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45176772
3-(4-isobutyl-1H-pyrazol-5-yl)-1-(2-thienylacetyl)piperidine
CID 45187809

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 56904303) is (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1CC1)C1[C@H]2CN(Cc3ccc(-c4ccn[nH]4)s3)C[C@@H]12.
What is the InChIKey of (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XUQNYIPPWRDGGQ-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-17(19-10-1-2-10)16-12-8-21(9-13(12)16)7-11-3-4-15(23-11)14-5-6-18-20-14/h3-6,10,12-13,16H,1-2,7-9H2,(H,18,20)(H,19,22)/t12-,13+,16?.
What are the key properties of (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-cyclopropyl-3-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 56904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).