N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine

C11H21N3 — CID 93104217

IUPACN-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
SMILESCCCCC[C@@H](C)Nc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-12-14(3)9-11/h8-10,13H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyORCOCRMLNWIOPW-SNVBAGLBSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds6

About N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine

N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine (PubChem CID 93104217) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
PubChem CID93104217
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
SMILESCCCCC[C@@H](C)Nc1cnn(C)c1
InChIInChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-12-14(3)9-11/h8-10,13H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyORCOCRMLNWIOPW-SNVBAGLBSA-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'}

Analyze N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-heptan-2-yl-1,5-dimethylpyrazol-4-amine
CID 115923292
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine (CID 93104217) is N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine is CCCCC[C@@H](C)Nc1cnn(C)c1.
What is the InChIKey of N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine?
The InChIKey is ORCOCRMLNWIOPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-7-10(2)13-11-8-12-14(3)9-11/h8-10,13H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine?
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-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-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 93104217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).