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

C19H17ClFN7 — CID 142754035

IUPACN-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4)nn3C)ncn2)n1
InChIInChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(26-27(19)3)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24)
InChIKeyWFDDVCRWXZJREW-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.22
Rot. Bonds4

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

N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 142754035) has the molecular formula C19H17ClFN7 and a molecular weight of 397.85 g/mol. Its IUPAC name is N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID142754035
Molecular FormulaC19H17ClFN7
Molecular Weight397.85 g/mol
Exact Mass397.12
IUPAC NameN-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4)nn3C)ncn2)n1
InChIInChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(26-27(19)3)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24)
InChIKeyWFDDVCRWXZJREW-UHFFFAOYSA-N
XLogP4.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440238
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-5-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 134440765
4-[4-chloro-1-(cyclopropylmethyl)-5-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]pyrazol-3-yl]benzonitrile
CID 134440557
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990
4-(3,5-dimethylpyrazol-1-yl)-6-[[5-(4-fluorophenyl)-4-methoxy-2-methylpyrazol-3-yl]methyl]pyrimidine
CID 160979710
6-[5-(1-fluoroethyl)-3-methylpyrazol-1-yl]-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
CID 163700781
4-[1-(2-cyclopropylethyl)-5-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-4-methylpyrazol-3-yl]benzonitrile
CID 134440128
6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440488
N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440399
6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440827
2-[4-chloro-1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-methylpyrazol-5-yl]propan-2-ol
CID 134440841
7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
CID 137305511

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 142754035) is N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4)nn3C)ncn2)n1.
What is the InChIKey of N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is WFDDVCRWXZJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN7/c1-11-8-12(2)28(25-11)16-9-15(22-10-23-16)24-19-17(20)18(26-27(19)3)13-4-6-14(21)7-5-13/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 397.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 142754035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).