N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine

C13H23N3 — CID 122166419

IUPACN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C13H23N3/c1-4-7-14-9-12-8-13(11-5-6-11)15-16(12)10(2)3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyPPZDQIMHACIOCU-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.84
Rot. Bonds6

About N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 122166419) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID122166419
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C13H23N3/c1-4-7-14-9-12-8-13(11-5-6-11)15-16(12)10(2)3/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyPPZDQIMHACIOCU-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine (CID 122166419) is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine is CCCNCc1cc(C2CC2)nn1C(C)C.
What is the InChIKey of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is PPZDQIMHACIOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-7-14-9-12-8-13(11-5-6-11)15-16(12)10(2)3/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine?
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 122166419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).