N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide

C21H23N5O — CID 138036681

IUPACN-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cnc2n1CCCCC2
InChIInChI=1S/C21H23N5O/c27-21(19-13-22-20-9-5-2-6-10-25(19)20)24-18-11-17(18)15-12-23-26(14-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-14,17-18H,2,5-6,9-11H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyAIMCAHLUABFOSN-ZWKOTPCHSA-N
MW361.45 g/mol
LogP3.08
Rot. Bonds4

About N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide

N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (PubChem CID 138036681) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
PubChem CID138036681
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cnc2n1CCCCC2
InChIInChI=1S/C21H23N5O/c27-21(19-13-22-20-9-5-2-6-10-25(19)20)24-18-11-17(18)15-12-23-26(14-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-14,17-18H,2,5-6,9-11H2,(H,24,27)/t17-,18+/m0/s1
InChIKeyAIMCAHLUABFOSN-ZWKOTPCHSA-N
XLogP3.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
CID 167850947
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxylic acid;hydrochloride
CID 126796932
2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
CID 120663100
N-(2-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 71844938
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
N-[2-[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 164631185
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
(2R)-2-cyclopentyl-2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 95193499
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 37179370
N-[2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)ethyl]benzamide
CID 56753801
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
CID 119069614

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide (CID 138036681) is N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cnc2n1CCCCC2.
What is the InChIKey of N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
The InChIKey is AIMCAHLUABFOSN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(19-13-22-20-9-5-2-6-10-25(19)20)24-18-11-17(18)15-12-23-26(14-15)16-7-3-1-4-8-16/h1,3-4,7-8,12-14,17-18H,2,5-6,9-11H2,(H,24,27)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide?
N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide is sourced from PubChem (CID 138036681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).