3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C21H17Br2ClFN5O2 — CID 68577655

IUPAC3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1c(F)ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c1Br
InChIInChI=1S/C21H17Br2ClFN5O2/c1-29(10-11-4-5-11)21(32)17-13(25)6-7-14(18(17)23)27-20(31)15-9-16(22)28-30(15)19-12(24)3-2-8-26-19/h2-3,6-9,11H,4-5,10H2,1H3,(H,27,31)
InChIKeyOKGQPQBWZMGRSA-UHFFFAOYSA-N
MW585.66 g/mol
LogP5.32
Rot. Bonds6

About 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 68577655) has the molecular formula C21H17Br2ClFN5O2 and a molecular weight of 585.66 g/mol. Its IUPAC name is 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID68577655
Molecular FormulaC21H17Br2ClFN5O2
Molecular Weight585.66 g/mol
Exact Mass582.94
IUPAC Name3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
SMILESCN(CC1CC1)C(=O)c1c(F)ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c1Br
InChIInChI=1S/C21H17Br2ClFN5O2/c1-29(10-11-4-5-11)21(32)17-13(25)6-7-14(18(17)23)27-20(31)15-9-16(22)28-30(15)19-12(24)3-2-8-26-19/h2-3,6-9,11H,4-5,10H2,1H3,(H,27,31)
InChIKeyOKGQPQBWZMGRSA-UHFFFAOYSA-N
XLogP5.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
3-bromo-N-[2-bromo-4-chloro-6-(2-cyclopropylethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 66601493
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 178066257
3-bromo-N-[4-chloro-2-methyl-6-(oxetan-2-ylmethylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 68934993
3-bromo-1-(3-chloro-2-pyridinyl)-N-[7-(cyclopropylcarbamoyl)-2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl]pyrazole-5-carboxamide
CID 59549458
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595
3-bromo-N-(6-chloro-3-fluoro-4-methyl-2,3-dihydro-1H-inden-5-yl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 143745304
ethyl N-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl]-methylamino]carbamate
CID 59286902
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-(diethylcarbamoyl)-4-iodo-6-methylphenyl]pyrazole-5-carboxamide
CID 118496622
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-[dimethylamino(ethyl)carbamoyl]phenyl]pyrazole-5-carboxamide
CID 134562069
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]-methylamino]-methylcarbamic acid
CID 67468671
3-bromo-N-[6-chloro-3-fluoro-4-(propan-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 59549436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide (CID 68577655) is 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is CN(CC1CC1)C(=O)c1c(F)ccc(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c1Br.
What is the InChIKey of 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is OKGQPQBWZMGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2ClFN5O2/c1-29(10-11-4-5-11)21(32)17-13(25)6-7-14(18(17)23)27-20(31)15-9-16(22)28-30(15)19-12(24)3-2-8-26-19/h2-3,6-9,11H,4-5,10H2,1H3,(H,27,31).
What are the key properties of 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide?
3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 585.66 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-bromo-3-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorophenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 68577655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).