5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine

C10H18ClN3 — CID 82871909

IUPAC5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCC(CCCCl)NCc1ccn(C)n1
InChIInChI=1S/C10H18ClN3/c1-9(4-3-6-11)12-8-10-5-7-14(2)13-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyUUVQQNBYATZKFH-UHFFFAOYSA-N
MW215.73 g/mol
LogP1.92
Rot. Bonds6

About 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine

5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 82871909) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID82871909
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCC(CCCCl)NCc1ccn(C)n1
InChIInChI=1S/C10H18ClN3/c1-9(4-3-6-11)12-8-10-5-7-14(2)13-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyUUVQQNBYATZKFH-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-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

5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
CID 156571070
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine (CID 82871909) is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine is CC(CCCCl)NCc1ccn(C)n1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is UUVQQNBYATZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-9(4-3-6-11)12-8-10-5-7-14(2)13-10/h5,7,9,12H,3-4,6,8H2,1-2H3.
What are the key properties of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine?
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 215.73 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 82871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).