6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine

C23H23ClFN7 — CID 134440006

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C23H23ClFN7/c1-13-22(17-6-8-18(25)9-7-17)31(11-16-4-5-16)30-23(13)28-19-10-20(27-12-26-19)32-15(3)21(24)14(2)29-32/h6-10,12,16H,4-5,11H2,1-3H3,(H,26,27,28,30)
InChIKeyIZKHXMCHQNGGFI-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.40
Rot. Bonds6

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134440006) has the molecular formula C23H23ClFN7 and a molecular weight of 451.94 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
PubChem CID134440006
Molecular FormulaC23H23ClFN7
Molecular Weight451.94 g/mol
Exact Mass451.17
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C23H23ClFN7/c1-13-22(17-6-8-18(25)9-7-17)31(11-16-4-5-16)30-23(13)28-19-10-20(27-12-26-19)32-15(3)21(24)14(2)29-32/h6-10,12,16H,4-5,11H2,1-3H3,(H,26,27,28,30)
InChIKeyIZKHXMCHQNGGFI-UHFFFAOYSA-N
XLogP5.40
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine (CID 134440006) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine is Cc1nn(-c2cc(Nc3nn(CC4CC4)c(-c4ccc(F)cc4)c3C)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is IZKHXMCHQNGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7/c1-13-22(17-6-8-18(25)9-7-17)31(11-16-4-5-16)30-23(13)28-19-10-20(27-12-26-19)32-15(3)21(24)14(2)29-32/h6-10,12,16H,4-5,11H2,1-3H3,(H,26,27,28,30).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 451.94 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).