1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C13H23N3 — CID 115895156

IUPAC1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cn(C)nc1C)C1CC1
InChIInChI=1S/C13H23N3/c1-4-13(11-5-6-11)14-8-7-12-9-16(3)15-10(12)2/h9,11,13-14H,4-8H2,1-3H3
InChIKeyGRZZUEISLSDHIS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.05
Rot. Bonds6

About 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115895156) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115895156
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cn(C)nc1C)C1CC1
InChIInChI=1S/C13H23N3/c1-4-13(11-5-6-11)14-8-7-12-9-16(3)15-10(12)2/h9,11,13-14H,4-8H2,1-3H3
InChIKeyGRZZUEISLSDHIS-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115895156) is 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCC(NCCc1cn(C)nc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is GRZZUEISLSDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13(11-5-6-11)14-8-7-12-9-16(3)15-10(12)2/h9,11,13-14H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115895156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).