4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine

C14H12FN5 — CID 22037701

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19)
InChIKeyQPEZZXQRVCTJJN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.71
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 22037701) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
PubChem CID22037701
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19)
InChIKeyQPEZZXQRVCTJJN-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
CID 22037213
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
ethane;4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 143047131
4-[[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzonitrile
CID 68568004
2-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141095132
1-N-[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 68566343
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 10456191
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylimidazo[1,2-a]pyridin-3-amine
CID 134202510
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 10457588
4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141081137
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 10321920
4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-[3-(1-piperidin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68570450

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine (CID 22037701) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is QPEZZXQRVCTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 22037701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).