N-heptyl-5-methyl-1H-pyrazol-3-amine

C11H21N3 — CID 70384755

IUPACN-heptyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCCCCNc1cc(C)[nH]n1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-8-12-11-9-10(2)13-14-11/h9H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeySKQXMPFCQLLFRD-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.10
Rot. Bonds7

About N-heptyl-5-methyl-1H-pyrazol-3-amine

N-heptyl-5-methyl-1H-pyrazol-3-amine (PubChem CID 70384755) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-heptyl-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-heptyl-5-methyl-1H-pyrazol-3-amine
PubChem CID70384755
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-heptyl-5-methyl-1H-pyrazol-3-amine
SMILESCCCCCCCNc1cc(C)[nH]n1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-8-12-11-9-10(2)13-14-11/h9H,3-8H2,1-2H3,(H2,12,13,14)
InChIKeySKQXMPFCQLLFRD-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.10
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-heptyl-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of N-heptyl-5-methyl-1H-pyrazol-3-amine (CID 70384755) is N-heptyl-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-heptyl-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for N-heptyl-5-methyl-1H-pyrazol-3-amine is CCCCCCCNc1cc(C)[nH]n1.
What is the InChIKey of N-heptyl-5-methyl-1H-pyrazol-3-amine?
The InChIKey is SKQXMPFCQLLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-7-8-12-11-9-10(2)13-14-11/h9H,3-8H2,1-2H3,(H2,12,13,14).
What are the key properties of N-heptyl-5-methyl-1H-pyrazol-3-amine?
N-heptyl-5-methyl-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 70384755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).