5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole

C12H22N2 — CID 123805633

IUPAC5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole
SMILESCCCCc1[nH]nc(C(C)C)c1CC
InChIInChI=1S/C12H22N2/c1-5-7-8-11-10(6-2)12(9(3)4)14-13-11/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyPBDSRHJAAPBSOS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.44
Rot. Bonds5

About 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole

5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole (PubChem CID 123805633) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole
PubChem CID123805633
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole
SMILESCCCCc1[nH]nc(C(C)C)c1CC
InChIInChI=1S/C12H22N2/c1-5-7-8-11-10(6-2)12(9(3)4)14-13-11/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyPBDSRHJAAPBSOS-UHFFFAOYSA-N
XLogP3.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
3,4,5-trioctyl-1H-pyrazole
CID 139676561
3,4,5-trihexyl-1H-pyrazole
CID 139676560
5-pentyl-4-propyl-1H-pyrazol-3-amine
CID 79405601
4-(2-chloroethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 121212794
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
4-butyl-2,3,5,6-tetrachloropyridine
CID 71357980
3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanenitrile
CID 121213114
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212763
3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one
CID 134914218
3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole
CID 175581013

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole (CID 123805633) is 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole is CCCCc1[nH]nc(C(C)C)c1CC.
What is the InChIKey of 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is PBDSRHJAAPBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-8-11-10(6-2)12(9(3)4)14-13-11/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole?
5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 123805633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).