1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine

C17H24ClN3 — CID 64783754

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(Cc2cccc(Cl)c2)NC)n1
InChIInChI=1S/C17H24ClN3/c1-4-13(2)21-9-8-16(20-21)12-17(19-3)11-14-6-5-7-15(18)10-14/h5-10,13,17,19H,4,11-12H2,1-3H3
InChIKeySBRXZTSYOVHAID-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.88
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine (PubChem CID 64783754) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
PubChem CID64783754
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(Cc2cccc(Cl)c2)NC)n1
InChIInChI=1S/C17H24ClN3/c1-4-13(2)21-9-8-16(20-21)12-17(19-3)11-14-6-5-7-15(18)10-14/h5-10,13,17,19H,4,11-12H2,1-3H3
InChIKeySBRXZTSYOVHAID-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine (CID 64783754) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine is CCC(C)n1ccc(CC(Cc2cccc(Cl)c2)NC)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
The InChIKey is SBRXZTSYOVHAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-13(2)21-9-8-16(20-21)12-17(19-3)11-14-6-5-7-15(18)10-14/h5-10,13,17,19H,4,11-12H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 64783754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).