4-propyl-6-pyrazol-1-ylpyrimidine

C10H12N4 — CID 63811964

IUPAC4-propyl-6-pyrazol-1-ylpyrimidine
SMILESCCCc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N4/c1-2-4-9-7-10(12-8-11-9)14-6-3-5-13-14/h3,5-8H,2,4H2,1H3
InChIKeyBJQVJVZKXZUQDL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.61
Rot. Bonds3

About 4-propyl-6-pyrazol-1-ylpyrimidine

4-propyl-6-pyrazol-1-ylpyrimidine (PubChem CID 63811964) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-propyl-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-propyl-6-pyrazol-1-ylpyrimidine
PubChem CID63811964
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-propyl-6-pyrazol-1-ylpyrimidine
SMILESCCCc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N4/c1-2-4-9-7-10(12-8-11-9)14-6-3-5-13-14/h3,5-8H,2,4H2,1H3
InChIKeyBJQVJVZKXZUQDL-UHFFFAOYSA-N
XLogP1.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CID 676764
4,6-Bis(3,5-dimethyl-1H-pyrazole-1-yl)pyrimidine
CID 762995
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-isopentyl-pyrimidine-2,4-diamine
CID 70683297
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318

Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-propyl-6-pyrazol-1-ylpyrimidine (CID 63811964) is 4-propyl-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-propyl-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-propyl-6-pyrazol-1-ylpyrimidine is CCCc1cc(-n2cccn2)ncn1.
What is the InChIKey of 4-propyl-6-pyrazol-1-ylpyrimidine?
The InChIKey is BJQVJVZKXZUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-4-9-7-10(12-8-11-9)14-6-3-5-13-14/h3,5-8H,2,4H2,1H3.
What are the key properties of 4-propyl-6-pyrazol-1-ylpyrimidine?
4-propyl-6-pyrazol-1-ylpyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 63811964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).