N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine

C15H13ClFN5O — CID 166350397

IUPACN-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(Cc3cc(F)ccc3Cl)c2)n1
InChIInChI=1S/C15H13ClFN5O/c1-23-14-4-5-18-15(21-14)20-12-7-19-22(9-12)8-10-6-11(17)2-3-13(10)16/h2-7,9H,8H2,1H3,(H,18,20,21)
InChIKeyNACWENPGSHYGKD-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.27
Rot. Bonds5

About N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine

N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine (PubChem CID 166350397) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine
PubChem CID166350397
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC NameN-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(Cc3cc(F)ccc3Cl)c2)n1
InChIInChI=1S/C15H13ClFN5O/c1-23-14-4-5-18-15(21-14)20-12-7-19-22(9-12)8-10-6-11(17)2-3-13(10)16/h2-7,9H,8H2,1H3,(H,18,20,21)
InChIKeyNACWENPGSHYGKD-UHFFFAOYSA-N
XLogP3.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157013114
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 102619521
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
CID 102620096
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 39853882
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylpyrimidin-2-amine
CID 133304650
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277195
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19343967

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine (CID 166350397) is N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine is COc1ccnc(Nc2cnn(Cc3cc(F)ccc3Cl)c2)n1.
What is the InChIKey of N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is NACWENPGSHYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-23-14-4-5-18-15(21-14)20-12-7-19-22(9-12)8-10-6-11(17)2-3-13(10)16/h2-7,9H,8H2,1H3,(H,18,20,21).
What are the key properties of N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine?
N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 333.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 166350397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).