5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine

C14H11BrClN5 — CID 141287443

IUPAC5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESClc1ccc(Cn2cc(Nc3ncc(Br)cn3)cn2)cc1
InChIInChI=1S/C14H11BrClN5/c15-11-5-17-14(18-6-11)20-13-7-19-21(9-13)8-10-1-3-12(16)4-2-10/h1-7,9H,8H2,(H,17,18,20)
InChIKeyYRUOVNMLHZWIOQ-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.88
Rot. Bonds4

About 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine

5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 141287443) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID141287443
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine
SMILESClc1ccc(Cn2cc(Nc3ncc(Br)cn3)cn2)cc1
InChIInChI=1S/C14H11BrClN5/c15-11-5-17-14(18-6-11)20-13-7-19-21(9-13)8-10-1-3-12(16)4-2-10/h1-7,9H,8H2,(H,17,18,20)
InChIKeyYRUOVNMLHZWIOQ-UHFFFAOYSA-N
XLogP3.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157013114
1-benzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342344
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]thiourea
CID 19676762
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)thiourea
CID 19676742

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine (CID 141287443) is 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine is Clc1ccc(Cn2cc(Nc3ncc(Br)cn3)cn2)cc1.
What is the InChIKey of 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is YRUOVNMLHZWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c15-11-5-17-14(18-6-11)20-13-7-19-21(9-13)8-10-1-3-12(16)4-2-10/h1-7,9H,8H2,(H,17,18,20).
What are the key properties of 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine?
5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 364.63 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 141287443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).