4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine

C10H11FN4 — CID 164652238

IUPAC4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nccc(F)n2)cn1
InChIInChI=1S/C10H11FN4/c1-2-5-15-7-8(6-13-15)10-12-4-3-9(11)14-10/h3-4,6-7H,2,5H2,1H3
InChIKeyBLFYRQQUEPGYGI-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.89
Rot. Bonds3

About 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine

4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 164652238) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID164652238
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nccc(F)n2)cn1
InChIInChI=1S/C10H11FN4/c1-2-5-15-7-8(6-13-15)10-12-4-3-9(11)14-10/h3-4,6-7H,2,5H2,1H3
InChIKeyBLFYRQQUEPGYGI-UHFFFAOYSA-N
XLogP1.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
4-Ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine
CID 13000581
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
2-chloro-4-(1H-pyrazol-1-yl)pyrimidine
CID 21992219
2-chloro-4-(4-methyl-1H-pyrazol-1-yl)pyrimidine
CID 62343477
{Pyrazolo[1,5-a]pyrimidin-6-yl}methanamine
CID 63820624
6-Fluoropyrazolo[1,5-a]pyrimidine
CID 124364709
2-Ethyl-4-methylpyrazolo[1,5-a][1,3,5]triazine
CID 13000582

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine (CID 164652238) is 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2nccc(F)n2)cn1.
What is the InChIKey of 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is BLFYRQQUEPGYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-2-5-15-7-8(6-13-15)10-12-4-3-9(11)14-10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 206.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 164652238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).