2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine

C9H9FN4 — CID 89032520

IUPAC2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
SMILESCc1c(F)c(-c2ncccn2)nn1C
InChIInChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyYXGCHQHZZBQRBS-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.32
Rot. Bonds1

About 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine

2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine (PubChem CID 89032520) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
PubChem CID89032520
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine
SMILESCc1c(F)c(-c2ncccn2)nn1C
InChIInChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3
InChIKeyYXGCHQHZZBQRBS-UHFFFAOYSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-5-amine
CID 43316767
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
4,6-Dimethyl-2-pyrazol-1-ylpyrimidine
CID 13880919
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50981973
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine (CID 89032520) is 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine is Cc1c(F)c(-c2ncccn2)nn1C.
What is the InChIKey of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
The InChIKey is YXGCHQHZZBQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-7(10)8(13-14(6)2)9-11-4-3-5-12-9/h3-5H,1-2H3.
What are the key properties of 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine?
2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine has a molecular weight of 192.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,5-dimethylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 89032520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).