N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine

C13H25N3 — CID 105481332

IUPACN-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
SMILESCCCc1cc(CCCNC)nn1C(C)C
InChIInChI=1S/C13H25N3/c1-5-7-13-10-12(8-6-9-14-4)15-16(13)11(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyXIXFFBPWKLUIGF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds7

About N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine

N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine (PubChem CID 105481332) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
PubChem CID105481332
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
SMILESCCCc1cc(CCCNC)nn1C(C)C
InChIInChI=1S/C13H25N3/c1-5-7-13-10-12(8-6-9-14-4)15-16(13)11(2)3/h10-11,14H,5-9H2,1-4H3
InChIKeyXIXFFBPWKLUIGF-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
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-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine (CID 105481332) is N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine is CCCc1cc(CCCNC)nn1C(C)C.
What is the InChIKey of N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is XIXFFBPWKLUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-13-10-12(8-6-9-14-4)15-16(13)11(2)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine?
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).