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

C19H21ClFN7 — CID 163200961

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(NC3NNC(c4ccc(F)cc4)C3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H21ClFN7/c1-10-18(13-4-6-14(21)7-5-13)25-26-19(10)24-15-8-16(23-9-22-15)28-12(3)17(20)11(2)27-28/h4-10,18-19,25-26H,1-3H3,(H,22,23,24)
InChIKeyIUKPEJWTCGDOKM-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.29
Rot. Bonds4

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

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine (PubChem CID 163200961) has the molecular formula C19H21ClFN7 and a molecular weight of 401.88 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine
PubChem CID163200961
Molecular FormulaC19H21ClFN7
Molecular Weight401.88 g/mol
Exact Mass401.15
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(NC3NNC(c4ccc(F)cc4)C3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H21ClFN7/c1-10-18(13-4-6-14(21)7-5-13)25-26-19(10)24-15-8-16(23-9-22-15)28-12(3)17(20)11(2)27-28/h4-10,18-19,25-26H,1-3H3,(H,22,23,24)
InChIKeyIUKPEJWTCGDOKM-UHFFFAOYSA-N
XLogP3.29
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[6-[(4-chloro-5-phenylpyrazolidin-3-yl)amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 163200957
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 134440106
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
CID 134440006
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 134440182
2-[6-[[4-ethyl-5-(4-fluorophenyl)pyrazolidin-3-yl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 163200950
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
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
CID 158868324
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990
tert-butyl 1-[6-[[4-ethyl-5-(4-fluorophenyl)pyrazolidin-3-yl]amino]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
CID 163200951
2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716265
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134440835
4-[5-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-(cyclopropylmethyl)-4-methylpyrazol-3-yl]benzonitrile
CID 142754055

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine (CID 163200961) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine is Cc1nn(-c2cc(NC3NNC(c4ccc(F)cc4)C3C)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine?
The InChIKey is IUKPEJWTCGDOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN7/c1-10-18(13-4-6-14(21)7-5-13)25-26-19(10)24-15-8-16(23-9-22-15)28-12(3)17(20)11(2)27-28/h4-10,18-19,25-26H,1-3H3,(H,22,23,24).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine has a molecular weight of 401.88 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 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-[5-(4-fluorophenyl)-4-methylpyrazolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 163200961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).