2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine

C16H22ClN3 — CID 82870491

IUPAC2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-12(2)18-11-14(10-16-7-8-20(3)19-16)13-5-4-6-15(17)9-13/h4-9,12,14,18H,10-11H2,1-3H3
InChIKeyPGBYNZNQBKALRO-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.40
Rot. Bonds6

About 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine

2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 82870491) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID82870491
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccn(C)n1)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-12(2)18-11-14(10-16-7-8-20(3)19-16)13-5-4-6-15(17)9-13/h4-9,12,14,18H,10-11H2,1-3H3
InChIKeyPGBYNZNQBKALRO-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine (CID 82870491) is 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccn(C)n1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is PGBYNZNQBKALRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12(2)18-11-14(10-16-7-8-20(3)19-16)13-5-4-6-15(17)9-13/h4-9,12,14,18H,10-11H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine?
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82870491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).