N-heptan-2-yl-2-methylpyrazol-3-amine

C11H21N3 — CID 115921288

IUPACN-heptan-2-yl-2-methylpyrazol-3-amine
SMILESCCCCCC(C)Nc1ccnn1C
InChIInChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-9-12-14(11)3/h8-10,13H,4-7H2,1-3H3
InChIKeyXQGIFNUHCYLWIT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds6

About N-heptan-2-yl-2-methylpyrazol-3-amine

N-heptan-2-yl-2-methylpyrazol-3-amine (PubChem CID 115921288) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-heptan-2-yl-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-heptan-2-yl-2-methylpyrazol-3-amine
PubChem CID115921288
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-heptan-2-yl-2-methylpyrazol-3-amine
SMILESCCCCCC(C)Nc1ccnn1C
InChIInChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-9-12-14(11)3/h8-10,13H,4-7H2,1-3H3
InChIKeyXQGIFNUHCYLWIT-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-methylpyrazol-3-amine?
The IUPAC name of N-heptan-2-yl-2-methylpyrazol-3-amine (CID 115921288) is N-heptan-2-yl-2-methylpyrazol-3-amine.
What is the SMILES notation for N-heptan-2-yl-2-methylpyrazol-3-amine?
The canonical SMILES for N-heptan-2-yl-2-methylpyrazol-3-amine is CCCCCC(C)Nc1ccnn1C.
What is the InChIKey of N-heptan-2-yl-2-methylpyrazol-3-amine?
The InChIKey is XQGIFNUHCYLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-9-12-14(11)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-heptan-2-yl-2-methylpyrazol-3-amine?
N-heptan-2-yl-2-methylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-methylpyrazol-3-amine is sourced from PubChem (CID 115921288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).