4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine

C20H20FN7 — CID 31161035

IUPAC4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
SMILESCC[C@H](Nc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1)c1ccnn1C
InChIInChI=1S/C20H20FN7/c1-3-17(19-9-11-23-27(19)2)25-20-22-10-8-18(26-20)14-12-24-28(13-14)16-6-4-15(21)5-7-16/h4-13,17H,3H2,1-2H3,(H,22,25,26)/t17-/m0/s1
InChIKeyFKNCMPRWWJXARI-KRWDZBQOSA-N
MW377.43 g/mol
LogP3.77
Rot. Bonds6

About 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine (PubChem CID 31161035) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
PubChem CID31161035
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
SMILESCC[C@H](Nc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1)c1ccnn1C
InChIInChI=1S/C20H20FN7/c1-3-17(19-9-11-23-27(19)2)25-20-22-10-8-18(26-20)14-12-24-28(13-14)16-6-4-15(21)5-7-16/h4-13,17H,3H2,1-2H3,(H,22,25,26)/t17-/m0/s1
InChIKeyFKNCMPRWWJXARI-KRWDZBQOSA-N
XLogP3.77
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]pyrimidin-2-amine
CID 46987286
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
CID 46994573
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-(3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 31224515
5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
CID 137344237
4-(1-phenylpyrazol-4-yl)-N-(1-pyridin-4-ylpropan-2-yl)pyrimidin-2-amine
CID 46992450
N-[1-(2-methylpyrazol-3-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867835
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 46996131
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711
(2S)-2-[[4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidin-2-yl]amino]-2-phenylethanol
CID 171517385
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 96570859

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine (CID 31161035) is 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine is CC[C@H](Nc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1)c1ccnn1C.
What is the InChIKey of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The InChIKey is FKNCMPRWWJXARI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN7/c1-3-17(19-9-11-23-27(19)2)25-20-22-10-8-18(26-20)14-12-24-28(13-14)16-6-4-15(21)5-7-16/h4-13,17H,3H2,1-2H3,(H,22,25,26)/t17-/m0/s1.
What are the key properties of 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine has a molecular weight of 377.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)pyrazol-4-yl]-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 31161035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).