N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C19H16ClF2N7 — CID 134440238

IUPACN-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4F)nn3C)ncn2)n1
InChIInChI=1S/C19H16ClF2N7/c1-10-6-11(2)29(26-10)16-8-15(23-9-24-16)25-19-17(20)18(27-28(19)3)13-5-4-12(21)7-14(13)22/h4-9H,1-3H3,(H,23,24,25)
InChIKeySJGHMQJPVMCBQQ-UHFFFAOYSA-N
MW415.84 g/mol
LogP4.35
Rot. Bonds4

About N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134440238) has the molecular formula C19H16ClF2N7 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID134440238
Molecular FormulaC19H16ClF2N7
Molecular Weight415.84 g/mol
Exact Mass415.11
IUPAC NameN-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4F)nn3C)ncn2)n1
InChIInChI=1S/C19H16ClF2N7/c1-10-6-11(2)29(26-10)16-8-15(23-9-24-16)25-19-17(20)18(27-28(19)3)13-5-4-12(21)7-14(13)22/h4-9H,1-3H3,(H,23,24,25)
InChIKeySJGHMQJPVMCBQQ-UHFFFAOYSA-N
XLogP4.35
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 142754035
2-[1-[6-[[3-(2,4-difluorophenyl)-1,4-dimethylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440546
4-[[4-chloro-3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 159903453
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-5-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 134440765
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990
6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440488
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-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 50830713
3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86948198
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
6-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 53015130
5-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 122289740

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 134440238) is N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3c(Cl)c(-c4ccc(F)cc4F)nn3C)ncn2)n1.
What is the InChIKey of N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is SJGHMQJPVMCBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N7/c1-10-6-11(2)29(26-10)16-8-15(23-9-24-16)25-19-17(20)18(27-28(19)3)13-5-4-12(21)7-14(13)22/h4-9H,1-3H3,(H,23,24,25).
What are the key properties of N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 415.84 g/mol, XLogP of 4.35, 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-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134440238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).