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

C24H26FN7 — CID 134439994

IUPACN-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C24H26FN7/c1-4-20-23(18-7-9-19(25)10-8-18)30-31(13-17-5-6-17)24(20)28-21-12-22(27-14-26-21)32-16(3)11-15(2)29-32/h7-12,14,17H,4-6,13H2,1-3H3,(H,26,27,28)
InChIKeyGZLVIUXFTBUCMO-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.00
Rot. Bonds7

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

N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134439994) has the molecular formula C24H26FN7 and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID134439994
Molecular FormulaC24H26FN7
Molecular Weight431.52 g/mol
Exact Mass431.22
IUPAC NameN-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C24H26FN7/c1-4-20-23(18-7-9-19(25)10-8-18)30-31(13-17-5-6-17)24(20)28-21-12-22(27-14-26-21)32-16(3)11-15(2)29-32/h7-12,14,17H,4-6,13H2,1-3H3,(H,26,27,28)
InChIKeyGZLVIUXFTBUCMO-UHFFFAOYSA-N
XLogP5.00
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 134439994) is N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is CCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Nc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is GZLVIUXFTBUCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7/c1-4-20-23(18-7-9-19(25)10-8-18)30-31(13-17-5-6-17)24(20)28-21-12-22(27-14-26-21)32-16(3)11-15(2)29-32/h7-12,14,17H,4-6,13H2,1-3H3,(H,26,27,28).
What are the key properties of N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134439994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).