cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H18N4O — CID 96539720

IUPACcis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C19H18N4O/c1-13-5-2-3-7-17(13)23-18(8-10-21-23)22-19(24)16-11-15(16)14-6-4-9-20-12-14/h2-10,12,15-16H,11H2,1H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyNHWJTHCNHRXKLG-HZPDHXFCSA-N
MW318.38 g/mol
LogP3.32
Rot. Bonds4

About cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 96539720) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID96539720
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Namecis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C19H18N4O/c1-13-5-2-3-7-17(13)23-18(8-10-21-23)22-19(24)16-11-15(16)14-6-4-9-20-12-14/h2-10,12,15-16H,11H2,1H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyNHWJTHCNHRXKLG-HZPDHXFCSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124742862
cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 95616875
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 99637733
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 119050510
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 96539720) is cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is Cc1ccccc1-n1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is NHWJTHCNHRXKLG-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-5-2-3-7-17(13)23-18(8-10-21-23)22-19(24)16-11-15(16)14-6-4-9-20-12-14/h2-10,12,15-16H,11H2,1H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 96539720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).