4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine

C14H11F2N5 — CID 114552622

IUPAC4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ncccn2)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H11F2N5/c1-21-13(17)11(8-5-9(15)7-10(16)6-8)12(20-21)14-18-3-2-4-19-14/h2-7H,17H2,1H3
InChIKeyCBZVPYUVRQBQTI-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.40
Rot. Bonds2

About 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine

4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 114552622) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
PubChem CID114552622
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ncccn2)c(-c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H11F2N5/c1-21-13(17)11(8-5-9(15)7-10(16)6-8)12(20-21)14-18-3-2-4-19-14/h2-7H,17H2,1H3
InChIKeyCBZVPYUVRQBQTI-UHFFFAOYSA-N
XLogP2.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552624
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552607
3-(2-bromofuran-3-yl)-4-(3,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 106854564
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 61496782
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522025
4-(3,4-dimethylphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62901484
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
4-(4-fluorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821050
3-(2-chlorofuran-3-yl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 106687548

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine (CID 114552622) is 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine is Cn1nc(-c2ncccn2)c(-c2cc(F)cc(F)c2)c1N.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is CBZVPYUVRQBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c1-21-13(17)11(8-5-9(15)7-10(16)6-8)12(20-21)14-18-3-2-4-19-14/h2-7H,17H2,1H3.
What are the key properties of 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine?
4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 287.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-methyl-3-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 114552622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).