4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine

C9H7ClF2N4 — CID 131466801

IUPAC4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
SMILESCc1cc(C(F)F)n(-c2cc(Cl)ncn2)n1
InChIInChI=1S/C9H7ClF2N4/c1-5-2-6(9(11)12)16(15-5)8-3-7(10)13-4-14-8/h2-4,9H,1H3
InChIKeyIIIVMHUCANVPQW-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.56
Rot. Bonds2

About 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine

4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine (PubChem CID 131466801) has the molecular formula C9H7ClF2N4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
PubChem CID131466801
Molecular FormulaC9H7ClF2N4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
SMILESCc1cc(C(F)F)n(-c2cc(Cl)ncn2)n1
InChIInChI=1S/C9H7ClF2N4/c1-5-2-6(9(11)12)16(15-5)8-3-7(10)13-4-14-8/h2-4,9H,1H3
InChIKeyIIIVMHUCANVPQW-UHFFFAOYSA-N
XLogP2.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 134440068
4-[1-(2,2-difluoroethyl)-5-[[6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-yl]methyl]-4-methylpyrazol-3-yl]benzonitrile
CID 149172604
4-[3-[[6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-yl]amino]-4-ethyl-1-methylpyrazol-5-yl]benzonitrile
CID 134440310
1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 134439833
5-chloro-3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 63789860
6-[5-(1-fluoroethyl)-3-methylpyrazol-1-yl]-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
CID 163700781
4-[[1-(cyclopropylmethyl)-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]methyl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
CID 161355948
4-chloro-6-(difluoromethyl)pyrimidine
CID 71743382
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[5,4-c]pyridine
CID 134440560
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
CID 134439991
2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one
CID 134439825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine (CID 131466801) is 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine is Cc1cc(C(F)F)n(-c2cc(Cl)ncn2)n1.
What is the InChIKey of 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
The InChIKey is IIIVMHUCANVPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N4/c1-5-2-6(9(11)12)16(15-5)8-3-7(10)13-4-14-8/h2-4,9H,1H3.
What are the key properties of 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine?
4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine has a molecular weight of 244.63 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine is sourced from PubChem (CID 131466801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).