N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine

C16H14ClFN4 — CID 68721011

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine
SMILESCc1cc(NCc2cn[nH]c2-c2ccc(Cl)cc2)ncc1F
InChIInChI=1S/C16H14ClFN4/c1-10-6-15(20-9-14(10)18)19-7-12-8-21-22-16(12)11-2-4-13(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20)(H,21,22)
InChIKeyVHBUSQJBHKCMFZ-UHFFFAOYSA-N
MW316.77 g/mol
LogP4.18
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine (PubChem CID 68721011) has the molecular formula C16H14ClFN4 and a molecular weight of 316.77 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine
PubChem CID68721011
Molecular FormulaC16H14ClFN4
Molecular Weight316.77 g/mol
Exact Mass316.09
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine
SMILESCc1cc(NCc2cn[nH]c2-c2ccc(Cl)cc2)ncc1F
InChIInChI=1S/C16H14ClFN4/c1-10-6-15(20-9-14(10)18)19-7-12-8-21-22-16(12)11-2-4-13(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20)(H,21,22)
InChIKeyVHBUSQJBHKCMFZ-UHFFFAOYSA-N
XLogP4.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine (CID 68721011) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine is Cc1cc(NCc2cn[nH]c2-c2ccc(Cl)cc2)ncc1F.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine?
The InChIKey is VHBUSQJBHKCMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4/c1-10-6-15(20-9-14(10)18)19-7-12-8-21-22-16(12)11-2-4-13(17)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine has a molecular weight of 316.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine is sourced from PubChem (CID 68721011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).