N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine

C10H19N3 — CID 20774380

IUPACN-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
SMILESCC(C)(C)CCCNc1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-10(2,3)6-4-7-11-9-5-8-12-13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13)
InChIKeyUBVYBKOLDLGIEQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.65
Rot. Bonds4

About N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine

N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine (PubChem CID 20774380) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
PubChem CID20774380
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
SMILESCC(C)(C)CCCNc1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-10(2,3)6-4-7-11-9-5-8-12-13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13)
InChIKeyUBVYBKOLDLGIEQ-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine (CID 20774380) is N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine is CC(C)(C)CCCNc1ccn[nH]1.
What is the InChIKey of N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine?
The InChIKey is UBVYBKOLDLGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,3)6-4-7-11-9-5-8-12-13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13).
What are the key properties of N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine?
N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine has a molecular weight of 181.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 20774380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).