N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide

C15H13BrClN5O — CID 19263693

IUPACN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)n1
InChIInChI=1S/C15H13BrClN5O/c1-21-9-13(17)14(20-21)15(23)19-12-4-2-3-10(5-12)7-22-8-11(16)6-18-22/h2-6,8-9H,7H2,1H3,(H,19,23)
InChIKeyBKOIIDGUHXQLOJ-UHFFFAOYSA-N
MW394.66 g/mol
LogP3.33
Rot. Bonds4

About N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide (PubChem CID 19263693) has the molecular formula C15H13BrClN5O and a molecular weight of 394.66 g/mol. Its IUPAC name is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
PubChem CID19263693
Molecular FormulaC15H13BrClN5O
Molecular Weight394.66 g/mol
Exact Mass393.00
IUPAC NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)n1
InChIInChI=1S/C15H13BrClN5O/c1-21-9-13(17)14(20-21)15(23)19-12-4-2-3-10(5-12)7-22-8-11(16)6-18-22/h2-6,8-9H,7H2,1H3,(H,19,23)
InChIKeyBKOIIDGUHXQLOJ-UHFFFAOYSA-N
XLogP3.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263670
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266531
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
4-[[4-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498606
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506868
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263367
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
4-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498682
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277492

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide (CID 19263693) is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)n1.
What is the InChIKey of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide?
The InChIKey is BKOIIDGUHXQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5O/c1-21-9-13(17)14(20-21)15(23)19-12-4-2-3-10(5-12)7-22-8-11(16)6-18-22/h2-6,8-9H,7H2,1H3,(H,19,23).
What are the key properties of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide?
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide has a molecular weight of 394.66 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19263693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).