1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

C14H18ClN3 — CID 113230700

IUPAC1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccn(C)n1
InChIInChI=1S/C14H18ClN3/c1-11(9-12-3-5-13(15)6-4-12)16-10-14-7-8-18(2)17-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyYWRHPWKAOYQFFU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.79
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 113230700) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID113230700
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1ccn(C)n1
InChIInChI=1S/C14H18ClN3/c1-11(9-12-3-5-13(15)6-4-12)16-10-14-7-8-18(2)17-14/h3-8,11,16H,9-10H2,1-2H3
InChIKeyYWRHPWKAOYQFFU-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
CID 156571070
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
1-(4-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 103911360
4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
CID 166194510
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (CID 113230700) is 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1ccn(C)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is YWRHPWKAOYQFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(9-12-3-5-13(15)6-4-12)16-10-14-7-8-18(2)17-14/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 113230700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).