trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C19H17BrN4O — CID 99637733

IUPACtrans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccnc(-n2nccc2NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-5-7-21-18(9-12)24-17(6-8-22-24)23-19(25)16-11-15(16)13-3-2-4-14(20)10-13/h2-10,15-16H,11H2,1H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyQQLBNEQYIGXCCA-JKSUJKDBSA-N
MW397.28 g/mol
LogP4.08
Rot. Bonds4

About trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 99637733) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID99637733
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Nametrans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccnc(-n2nccc2NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-5-7-21-18(9-12)24-17(6-8-22-24)23-19(25)16-11-15(16)13-3-2-4-14(20)10-13/h2-10,15-16H,11H2,1H3,(H,23,25)/t15-,16+/m0/s1
InChIKeyQQLBNEQYIGXCCA-JKSUJKDBSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
3-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 68751940
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 118560393
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466
Elovl1-IN-1
CID 134587945
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596870
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-phenylcyclopropane-1-carboxamide
CID 31908123
N-(2-(1H-pyrazol-1-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46880473
2-cyclohexyl-N-(3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 155529317
N-(5-bromo-2-pyridinyl)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 4548456

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 99637733) is trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is Cc1ccnc(-n2nccc2NC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is QQLBNEQYIGXCCA-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-5-7-21-18(9-12)24-17(6-8-22-24)23-19(25)16-11-15(16)13-3-2-4-14(20)10-13/h2-10,15-16H,11H2,1H3,(H,23,25)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-bromophenyl)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99637733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).