5-pentyl-4-propyl-1H-pyrazol-3-amine

C11H21N3 — CID 79405601

IUPAC5-pentyl-4-propyl-1H-pyrazol-3-amine
SMILESCCCCCc1[nH]nc(N)c1CCC
InChIInChI=1S/C11H21N3/c1-3-5-6-8-10-9(7-4-2)11(12)14-13-10/h3-8H2,1-2H3,(H3,12,13,14)
InChIKeyDAGBWZTYCHFJEM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.68
Rot. Bonds6

About 5-pentyl-4-propyl-1H-pyrazol-3-amine

5-pentyl-4-propyl-1H-pyrazol-3-amine (PubChem CID 79405601) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-pentyl-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-pentyl-4-propyl-1H-pyrazol-3-amine
PubChem CID79405601
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-pentyl-4-propyl-1H-pyrazol-3-amine
SMILESCCCCCc1[nH]nc(N)c1CCC
InChIInChI=1S/C11H21N3/c1-3-5-6-8-10-9(7-4-2)11(12)14-13-10/h3-8H2,1-2H3,(H3,12,13,14)
InChIKeyDAGBWZTYCHFJEM-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
CID 69009830
5-pentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70433505
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70630474
3,4,5-trioctyl-1H-pyrazole
CID 139676561
3,4,5-trihexyl-1H-pyrazole
CID 139676560
5-butan-2-yl-4-propyl-1H-pyrazol-3-amine
CID 79405920
4-(2-bromophenyl)-5-hexyl-1H-pyrazol-3-amine
CID 114752943
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
4-(2-bromophenyl)-5-octyl-1H-pyrazol-3-amine
CID 65428452
5-cyclopropyl-4-propyl-1H-pyrazol-3-amine
CID 79406037
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-pentyl-4-propyl-1H-pyrazol-3-amine (CID 79405601) is 5-pentyl-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-pentyl-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-pentyl-4-propyl-1H-pyrazol-3-amine is CCCCCc1[nH]nc(N)c1CCC.
What is the InChIKey of 5-pentyl-4-propyl-1H-pyrazol-3-amine?
The InChIKey is DAGBWZTYCHFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-8-10-9(7-4-2)11(12)14-13-10/h3-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 5-pentyl-4-propyl-1H-pyrazol-3-amine?
5-pentyl-4-propyl-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79405601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).