cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H15N5O — CID 95049896

IUPACcis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H15N5O/c1-20-8-9(7-16-20)10-6-11(10)14(21)19-15-17-12-4-2-3-5-13(12)18-15/h2-5,7-8,10-11H,6H2,1H3,(H2,17,18,19,21)/t10-,11-/m1/s1
InChIKeyZRSJTWNYKYQIDI-GHMZBOCLSA-N
MW281.32 g/mol
LogP2.04
Rot. Bonds3

About cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95049896) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95049896
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Namecis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C15H15N5O/c1-20-8-9(7-16-20)10-6-11(10)14(21)19-15-17-12-4-2-3-5-13(12)18-15/h2-5,7-8,10-11H,6H2,1H3,(H2,17,18,19,21)/t10-,11-/m1/s1
InChIKeyZRSJTWNYKYQIDI-GHMZBOCLSA-N
XLogP2.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
CID 144524994
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
CID 95047778
(3R,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120938193
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95348568
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307559
cis-(1R,2S)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307560

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95049896) is cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@H]2C[C@H]2C(=O)Nc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ZRSJTWNYKYQIDI-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-8-9(7-16-20)10-6-11(10)14(21)19-15-17-12-4-2-3-5-13(12)18-15/h2-5,7-8,10-11H,6H2,1H3,(H2,17,18,19,21)/t10-,11-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95049896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).