3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine

C11H20ClN3 — CID 65029980

IUPAC3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cnn(C)c1
InChIInChI=1S/C11H20ClN3/c1-4-11(5-2,9-12)13-6-10-7-14-15(3)8-10/h7-8,13H,4-6,9H2,1-3H3
InChIKeyOERPPUGIBANIFN-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.31
Rot. Bonds6

About 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine

3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine (PubChem CID 65029980) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine
PubChem CID65029980
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cnn(C)c1
InChIInChI=1S/C11H20ClN3/c1-4-11(5-2,9-12)13-6-10-7-14-15(3)8-10/h7-8,13H,4-6,9H2,1-3H3
InChIKeyOERPPUGIBANIFN-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 78969503
1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
2-(ethylamino)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 62836683
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
1-chloro-2-(chloromethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 107867153
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine (CID 65029980) is 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine is CCC(CC)(CCl)NCc1cnn(C)c1.
What is the InChIKey of 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine?
The InChIKey is OERPPUGIBANIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-4-11(5-2,9-12)13-6-10-7-14-15(3)8-10/h7-8,13H,4-6,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine?
3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine has a molecular weight of 229.75 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 65029980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).