N-heptan-2-yl-1H-pyrazol-4-amine

C10H19N3 — CID 43539852

IUPACN-heptan-2-yl-1H-pyrazol-4-amine
SMILESCCCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C10H19N3/c1-3-4-5-6-9(2)13-10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyPXFHMTMXYTWBPS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.79
Rot. Bonds6

About N-heptan-2-yl-1H-pyrazol-4-amine

N-heptan-2-yl-1H-pyrazol-4-amine (PubChem CID 43539852) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-heptan-2-yl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-heptan-2-yl-1H-pyrazol-4-amine
PubChem CID43539852
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-heptan-2-yl-1H-pyrazol-4-amine
SMILESCCCCCC(C)Nc1cn[nH]c1
InChIInChI=1S/C10H19N3/c1-3-4-5-6-9(2)13-10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyPXFHMTMXYTWBPS-UHFFFAOYSA-N
XLogP2.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.79
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-heptan-2-yl-1H-pyrazol-4-amine?
The IUPAC name of N-heptan-2-yl-1H-pyrazol-4-amine (CID 43539852) is N-heptan-2-yl-1H-pyrazol-4-amine.
What is the SMILES notation for N-heptan-2-yl-1H-pyrazol-4-amine?
The canonical SMILES for N-heptan-2-yl-1H-pyrazol-4-amine is CCCCCC(C)Nc1cn[nH]c1.
What is the InChIKey of N-heptan-2-yl-1H-pyrazol-4-amine?
The InChIKey is PXFHMTMXYTWBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-5-6-9(2)13-10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-heptan-2-yl-1H-pyrazol-4-amine?
N-heptan-2-yl-1H-pyrazol-4-amine has a molecular weight of 181.28 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1H-pyrazol-4-amine is sourced from PubChem (CID 43539852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).