1-propyl-4-(1H-pyrazol-4-yl)pyrazole

C9H12N4 — CID 131201406

IUPAC1-propyl-4-(1H-pyrazol-4-yl)pyrazole
SMILESCCCn1cc(-c2cn[nH]c2)cn1
InChIInChI=1S/C9H12N4/c1-2-3-13-7-9(6-12-13)8-4-10-11-5-8/h4-7H,2-3H2,1H3,(H,10,11)
InChIKeyTVOTVJCUOCDRAC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.68
Rot. Bonds3

About 1-propyl-4-(1H-pyrazol-4-yl)pyrazole

1-propyl-4-(1H-pyrazol-4-yl)pyrazole (PubChem CID 131201406) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-propyl-4-(1H-pyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-propyl-4-(1H-pyrazol-4-yl)pyrazole
PubChem CID131201406
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-propyl-4-(1H-pyrazol-4-yl)pyrazole
SMILESCCCn1cc(-c2cn[nH]c2)cn1
InChIInChI=1S/C9H12N4/c1-2-3-13-7-9(6-12-13)8-4-10-11-5-8/h4-7H,2-3H2,1H3,(H,10,11)
InChIKeyTVOTVJCUOCDRAC-UHFFFAOYSA-N
XLogP1.68
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
2-chloro-5-(1-propylpyrazol-4-yl)phenol
CID 83130316
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 175663715
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole
CID 103573299
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
4-propoxy-1-propylpyrazole
CID 116805185
methyl-(1-propylpyrazol-4-yl)borinic acid
CID 123588068
7-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 81224329
4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
CID 172915447

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1H-pyrazol-4-yl)pyrazole?
The IUPAC name of 1-propyl-4-(1H-pyrazol-4-yl)pyrazole (CID 131201406) is 1-propyl-4-(1H-pyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-propyl-4-(1H-pyrazol-4-yl)pyrazole?
The canonical SMILES for 1-propyl-4-(1H-pyrazol-4-yl)pyrazole is CCCn1cc(-c2cn[nH]c2)cn1.
What is the InChIKey of 1-propyl-4-(1H-pyrazol-4-yl)pyrazole?
The InChIKey is TVOTVJCUOCDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-3-13-7-9(6-12-13)8-4-10-11-5-8/h4-7H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-propyl-4-(1H-pyrazol-4-yl)pyrazole?
1-propyl-4-(1H-pyrazol-4-yl)pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1H-pyrazol-4-yl)pyrazole is sourced from PubChem (CID 131201406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).