(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone

C15H12ClN5O — CID 141433603

IUPAC(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone
SMILESNc1ncncc1C(=O)c1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN5O/c16-12-4-2-1-3-10(12)8-21-6-5-13(20-21)14(22)11-7-18-9-19-15(11)17/h1-7,9H,8H2,(H2,17,18,19)
InChIKeyQEJAXXKZCVIJIW-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.19
Rot. Bonds4

About (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone

(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone (PubChem CID 141433603) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone
PubChem CID141433603
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone
SMILESNc1ncncc1C(=O)c1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12ClN5O/c16-12-4-2-1-3-10(12)8-21-6-5-13(20-21)14(22)11-7-18-9-19-15(11)17/h1-7,9H,8H2,(H2,17,18,19)
InChIKeyQEJAXXKZCVIJIW-UHFFFAOYSA-N
XLogP2.19
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopyrimidin-5-yl)-[1-(cyclopropylmethyl)pyrazol-3-yl]methanone
CID 123957601
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
(2-chlorophenyl)-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]methanone
CID 142342439
[(1R,2S,4S)-4-[[5-[1-[(2,5-dichlorophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate
CID 158060603
3-bromo-1-[(2-chlorophenyl)methyl]pyrazole
CID 130763299
[3-[[5-(1-benzylpyrazole-3-carbonyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 123309034
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
[(1R,2S,4R)-4-[[5-[1-[(5-bromo-2-chlorophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] N-methylsulfamate
CID 151168692
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
1-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19280255
[1-[(2,5-difluorophenyl)methyl]pyrazol-3-yl]-pyrimidin-5-ylmethanone
CID 141433536

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone?
The IUPAC name of (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone (CID 141433603) is (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone?
The canonical SMILES for (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone is Nc1ncncc1C(=O)c1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone?
The InChIKey is QEJAXXKZCVIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-12-4-2-1-3-10(12)8-21-6-5-13(20-21)14(22)11-7-18-9-19-15(11)17/h1-7,9H,8H2,(H2,17,18,19).
What are the key properties of (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone?
(4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone has a molecular weight of 313.75 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-5-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 141433603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).