4-butan-2-yl-1-propylpyrazole

C10H18N2 — CID 130194925

IUPAC4-butan-2-yl-1-propylpyrazole
SMILESCCCn1cc(C(C)CC)cn1
InChIInChI=1S/C10H18N2/c1-4-6-12-8-10(7-11-12)9(3)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMTYAGIDUPZBZJC-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.81
Rot. Bonds4

About 4-butan-2-yl-1-propylpyrazole

4-butan-2-yl-1-propylpyrazole (PubChem CID 130194925) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-butan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name4-butan-2-yl-1-propylpyrazole
PubChem CID130194925
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-butan-2-yl-1-propylpyrazole
SMILESCCCn1cc(C(C)CC)cn1
InChIInChI=1S/C10H18N2/c1-4-6-12-8-10(7-11-12)9(3)5-2/h7-9H,4-6H2,1-3H3
InChIKeyMTYAGIDUPZBZJC-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butan-2-ylpyrazol-1-yl)ethanol
CID 146424198
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
N-ethyl-3-(1-propylpyrazol-4-yl)butan-1-amine
CID 81018561
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-propylpyrazole?
The IUPAC name of 4-butan-2-yl-1-propylpyrazole (CID 130194925) is 4-butan-2-yl-1-propylpyrazole.
What is the SMILES notation for 4-butan-2-yl-1-propylpyrazole?
The canonical SMILES for 4-butan-2-yl-1-propylpyrazole is CCCn1cc(C(C)CC)cn1.
What is the InChIKey of 4-butan-2-yl-1-propylpyrazole?
The InChIKey is MTYAGIDUPZBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-12-8-10(7-11-12)9(3)5-2/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-butan-2-yl-1-propylpyrazole?
4-butan-2-yl-1-propylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-propylpyrazole is sourced from PubChem (CID 130194925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).