4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

C13H12ClF2N7 — CID 166101724

IUPAC4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C(F)F
InChIInChI=1S/C13H12ClF2N7/c1-7-8(6-22-4-2-3-18-22)11(21-23(7)12(15)16)9-5-10(14)20-13(17)19-9/h2-5,12H,6H2,1H3,(H2,17,19,20)
InChIKeyAVYUTDPCXWPPPR-UHFFFAOYSA-N
MW339.74 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 166101724) has the molecular formula C13H12ClF2N7 and a molecular weight of 339.74 g/mol. Its IUPAC name is 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID166101724
Molecular FormulaC13H12ClF2N7
Molecular Weight339.74 g/mol
Exact Mass339.08
IUPAC Name4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESCc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C(F)F
InChIInChI=1S/C13H12ClF2N7/c1-7-8(6-22-4-2-3-18-22)11(21-23(7)12(15)16)9-5-10(14)20-13(17)19-9/h2-5,12H,6H2,1H3,(H2,17,19,20)
InChIKeyAVYUTDPCXWPPPR-UHFFFAOYSA-N
XLogP2.52
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
4-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
Arylpyrazole, 21
CID 44143421
Arylpyrazole, 27
CID 44143427
Arylpyrazole, 29
CID 44143429
Arylpyrazole, 30
CID 44143430
2-{4-[(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]piperazino}pyrimidine
CID 1484420
2-(3-Chlorophenyl)-3-[2-[3-(dimethylamino)propylamino]-4-pyrimidinyl]-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 11719845
1-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridin-2-ylimidazol-2-amine
CID 21055055

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 166101724) is 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is Cc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C(F)F.
What is the InChIKey of 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is AVYUTDPCXWPPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N7/c1-7-8(6-22-4-2-3-18-22)11(21-23(7)12(15)16)9-5-10(14)20-13(17)19-9/h2-5,12H,6H2,1H3,(H2,17,19,20).
What are the key properties of 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 339.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(difluoromethyl)-5-methyl-4-(pyrazol-1-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166101724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).