4-butyl-1H-pyrazole

C7H12N2 — CID 11240477

IUPAC4-butyl-1H-pyrazole
SMILESCCCCc1cn[nH]c1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyDVSRQKLUIJYVQE-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.75
Rot. Bonds3

About 4-butyl-1H-pyrazole

4-butyl-1H-pyrazole (PubChem CID 11240477) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-butyl-1H-pyrazole.

Molecular Properties

Compound Name4-butyl-1H-pyrazole
PubChem CID11240477
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-butyl-1H-pyrazole
SMILESCCCCc1cn[nH]c1
InChIInChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyDVSRQKLUIJYVQE-UHFFFAOYSA-N
XLogP1.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propyl-1H-pyrazole
CID 12943708
4-Pentyl-1H-pyrazole
CID 23273417
4-(3-chloropropyl)-1H-pyrazole
CID 19068889
4-Hexyl-1H-pyrazole
CID 44371494
1H-Pyrazole-4-propanamine
CID 152327
4-(beta-Aminoethyl)pyrazole
CID 151416
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-Ethyl-1H-pyrazole
CID 12933274
4-(tert-Butyl)-1H-pyrazole
CID 14969657
3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 2736943
4-(Heptadecafluorooctyl)-1H-pyrazole
CID 13286741
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1H-pyrazole?
The IUPAC name of 4-butyl-1H-pyrazole (CID 11240477) is 4-butyl-1H-pyrazole.
What is the SMILES notation for 4-butyl-1H-pyrazole?
The canonical SMILES for 4-butyl-1H-pyrazole is CCCCc1cn[nH]c1.
What is the InChIKey of 4-butyl-1H-pyrazole?
The InChIKey is DVSRQKLUIJYVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7-5-8-9-6-7/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 4-butyl-1H-pyrazole?
4-butyl-1H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1H-pyrazole is sourced from PubChem (CID 11240477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).