1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

C13H23N3 — CID 64917592

IUPAC1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-3-13(11-6-7-11)14-8-4-5-12-9-15-16-10(12)2/h9,11,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyIIHHMASQKOZRRY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.43
Rot. Bonds7

About 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (PubChem CID 64917592) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
PubChem CID64917592
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)C1CC1
InChIInChI=1S/C13H23N3/c1-3-13(11-6-7-11)14-8-4-5-12-9-15-16-10(12)2/h9,11,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyIIHHMASQKOZRRY-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (CID 64917592) is 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is CCC(NCCCc1cn[nH]c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is IIHHMASQKOZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-13(11-6-7-11)14-8-4-5-12-9-15-16-10(12)2/h9,11,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 64917592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).