N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

C17H17BrClN5O — CID 19569908

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C17H17BrClN5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-14(18)11-23(22-17)10-13-4-2-3-5-15(13)19/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25)
InChIKeyNDNLSDGTNWMWPY-UHFFFAOYSA-N
MW422.71 g/mol
LogP3.88
Rot. Bonds6

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569908) has the molecular formula C17H17BrClN5O and a molecular weight of 422.71 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569908
Molecular FormulaC17H17BrClN5O
Molecular Weight422.71 g/mol
Exact Mass421.03
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C17H17BrClN5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-14(18)11-23(22-17)10-13-4-2-3-5-15(13)19/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25)
InChIKeyNDNLSDGTNWMWPY-UHFFFAOYSA-N
XLogP3.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541814
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
3-[5-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490143
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569942
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromo-5-methylpyrazol-1-yl)acetamide
CID 19517814
2-[3-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492219
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519461
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227
2-[3-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492226

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 19569908) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)Nc1nn(Cc2ccccc2Cl)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is NDNLSDGTNWMWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O/c1-12-6-8-20-24(12)9-7-16(25)21-17-14(18)11-23(22-17)10-13-4-2-3-5-15(13)19/h2-6,8,11H,7,9-10H2,1H3,(H,21,22,25).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 422.71 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).