3-butyl-1-propylpyrazole

C10H18N2 — CID 90936272

IUPAC3-butyl-1-propylpyrazole
SMILESCCCCc1ccn(CCC)n1
InChIInChI=1S/C10H18N2/c1-3-5-6-10-7-9-12(11-10)8-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyHXJMDNIWMXSWDU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.64
Rot. Bonds5

About 3-butyl-1-propylpyrazole

3-butyl-1-propylpyrazole (PubChem CID 90936272) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-butyl-1-propylpyrazole.

Molecular Properties

Compound Name3-butyl-1-propylpyrazole
PubChem CID90936272
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-butyl-1-propylpyrazole
SMILESCCCCc1ccn(CCC)n1
InChIInChI=1S/C10H18N2/c1-3-5-6-10-7-9-12(11-10)8-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyHXJMDNIWMXSWDU-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propylpyrazol-3-yl)methanamine
CID 19576818
3-(bromomethyl)-1-propylpyrazole
CID 122165667
3-(bromomethyl)-1-propylpyrazole;hydrobromide
CID 126965597
3-(3-propylpyrazol-1-yl)propan-1-ol
CID 90288358
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
1-[bis(3-butylpyrazol-1-yl)methyl]-3-butylpyrazole;dichloromanganese
CID 22496984
3-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
3-(butan-2-yloxymethyl)-1-propylpyrazole
CID 122170516
3-(1-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105433576
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
3-bromo-1-butylpyrazole
CID 90102192

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-propylpyrazole?
The IUPAC name of 3-butyl-1-propylpyrazole (CID 90936272) is 3-butyl-1-propylpyrazole.
What is the SMILES notation for 3-butyl-1-propylpyrazole?
The canonical SMILES for 3-butyl-1-propylpyrazole is CCCCc1ccn(CCC)n1.
What is the InChIKey of 3-butyl-1-propylpyrazole?
The InChIKey is HXJMDNIWMXSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-6-10-7-9-12(11-10)8-4-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 3-butyl-1-propylpyrazole?
3-butyl-1-propylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-propylpyrazole is sourced from PubChem (CID 90936272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).