trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide

C19H18N4O2 — CID 95287527

IUPACtrans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H18N4O2/c1-25-17-8-3-2-6-13(17)14-12-15(14)19(24)22-16-7-4-9-20-18(16)23-11-5-10-21-23/h2-11,14-15H,12H2,1H3,(H,22,24)/t14-,15+/m1/s1
InChIKeyBZCKRDXHELBXRB-CABCVRRESA-N
MW334.38 g/mol
LogP3.02
Rot. Bonds5

About trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 95287527) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID95287527
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C19H18N4O2/c1-25-17-8-3-2-6-13(17)14-12-15(14)19(24)22-16-7-4-9-20-18(16)23-11-5-10-21-23/h2-11,14-15H,12H2,1H3,(H,22,24)/t14-,15+/m1/s1
InChIKeyBZCKRDXHELBXRB-CABCVRRESA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629375
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 95294636
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
2-methoxy-2-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 103028916
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
CID 166236836

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide (CID 95287527) is trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is BZCKRDXHELBXRB-CABCVRRESA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-8-3-2-6-13(17)14-12-15(14)19(24)22-16-7-4-9-20-18(16)23-11-5-10-21-23/h2-11,14-15H,12H2,1H3,(H,22,24)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95287527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).