5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide

C17H17N5O — CID 167850947

IUPAC5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H17N5O/c1-11-15(9-18-21-11)17(23)20-16-7-14(16)12-8-19-22(10-12)13-5-3-2-4-6-13/h2-6,8-10,14,16H,7H2,1H3,(H,18,21)(H,20,23)/t14-,16+/m0/s1
InChIKeyBAPBBPULAXXPMR-GOEBONIOSA-N
MW307.36 g/mol
LogP2.19
Rot. Bonds4

About 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide (PubChem CID 167850947) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
PubChem CID167850947
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H17N5O/c1-11-15(9-18-21-11)17(23)20-16-7-14(16)12-8-19-22(10-12)13-5-3-2-4-6-13/h2-6,8-10,14,16H,7H2,1H3,(H,18,21)(H,20,23)/t14-,16+/m0/s1
InChIKeyBAPBBPULAXXPMR-GOEBONIOSA-N
XLogP2.19
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 138036681
2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
CID 120663100
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 10106577
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
1-phenyl-N-[(1R,2R)-2-phenylcyclopropyl]pyrazole-4-sulfonamide
CID 95259394
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide (CID 167850947) is 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BAPBBPULAXXPMR-GOEBONIOSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-15(9-18-21-11)17(23)20-16-7-14(16)12-8-19-22(10-12)13-5-3-2-4-6-13/h2-6,8-10,14,16H,7H2,1H3,(H,18,21)(H,20,23)/t14-,16+/m0/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167850947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).