3-propan-2-yl-5-propyl-1H-pyrazole

C9H16N2 — CID 45095856

IUPAC3-propan-2-yl-5-propyl-1H-pyrazole
SMILESCCCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyGYAWDICGIDXLDJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.49
Rot. Bonds3

About 3-propan-2-yl-5-propyl-1H-pyrazole

3-propan-2-yl-5-propyl-1H-pyrazole (PubChem CID 45095856) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-1H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-1H-pyrazole
PubChem CID45095856
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-propan-2-yl-5-propyl-1H-pyrazole
SMILESCCCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyGYAWDICGIDXLDJ-UHFFFAOYSA-N
XLogP2.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 20664541
5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
CID 86239923
5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
CID 59743848
N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347
methyl (2S)-2-amino-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanoate
CID 59640765
4-[(2S)-1-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-yl]-1,3-thiazole
CID 126581779
[1-fluoro-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174975655
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
(1R,5S)-3-[(3-propan-2-yl-1H-pyrazol-5-yl)methylamino]bicyclo[3.2.1]octan-8-ol
CID 155958849
4-(2,5-dimethylphenyl)-1-[2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl]piperidine
CID 141356476
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-1H-pyrazole?
The IUPAC name of 3-propan-2-yl-5-propyl-1H-pyrazole (CID 45095856) is 3-propan-2-yl-5-propyl-1H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-propyl-1H-pyrazole?
The canonical SMILES for 3-propan-2-yl-5-propyl-1H-pyrazole is CCCc1cc(C(C)C)n[nH]1.
What is the InChIKey of 3-propan-2-yl-5-propyl-1H-pyrazole?
The InChIKey is GYAWDICGIDXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-propan-2-yl-5-propyl-1H-pyrazole?
3-propan-2-yl-5-propyl-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-1H-pyrazole is sourced from PubChem (CID 45095856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).