N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C18H20BrN5O — CID 19333164

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C18H20BrN5O/c1-4-23-11-15(19)16(22-23)10-20-18(25)17-12(2)21-24(13(17)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,20,25)
InChIKeyOGLOKDKCJOMKNE-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 19333164) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID19333164
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCCn1cc(Br)c(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C18H20BrN5O/c1-4-23-11-15(19)16(22-23)10-20-18(25)17-12(2)21-24(13(17)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,20,25)
InChIKeyOGLOKDKCJOMKNE-UHFFFAOYSA-N
XLogP3.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473366
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-iodobenzamide
CID 19333078
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19284247
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(4-carbamimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 155484117
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19287518
N-(3-aminobutyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119494999
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 19333164) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is CCn1cc(Br)c(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is OGLOKDKCJOMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c1-4-23-11-15(19)16(22-23)10-20-18(25)17-12(2)21-24(13(17)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,20,25).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 402.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 19333164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).