4-propyl-1H-pyrazole

C6H10N2 — CID 12943708

IUPAC4-propyl-1H-pyrazole
SMILESCCCc1cn[nH]c1
InChIInChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYAXKXMVDJJMGRY-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.36
Rot. Bonds2

About 4-propyl-1H-pyrazole

4-propyl-1H-pyrazole (PubChem CID 12943708) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-propyl-1H-pyrazole.

Molecular Properties

Compound Name4-propyl-1H-pyrazole
PubChem CID12943708
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-propyl-1H-pyrazole
SMILESCCCc1cn[nH]c1
InChIInChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyYAXKXMVDJJMGRY-UHFFFAOYSA-N
XLogP1.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-pyrazol-4-yl)propan-1-ol
CID 3578384
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
4-(Heptadecafluorooctyl)-1H-pyrazole
CID 13286741
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
2-(1H-pyrazol-4-yl)acetonitrile
CID 20542700

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1H-pyrazole?
The IUPAC name of 4-propyl-1H-pyrazole (CID 12943708) is 4-propyl-1H-pyrazole.
What is the SMILES notation for 4-propyl-1H-pyrazole?
The canonical SMILES for 4-propyl-1H-pyrazole is CCCc1cn[nH]c1.
What is the InChIKey of 4-propyl-1H-pyrazole?
The InChIKey is YAXKXMVDJJMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-propyl-1H-pyrazole?
4-propyl-1H-pyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1H-pyrazole is sourced from PubChem (CID 12943708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).