N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine

C15H29N3 — CID 66440753

IUPACN-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnn(C(CC)CC)c1CCC
InChIInChI=1S/C15H29N3/c1-5-9-15-13(11-16-10-6-2)12-17-18(15)14(7-3)8-4/h12,14,16H,5-11H2,1-4H3
InChIKeyCNEHOFBKZVDGNL-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.70
Rot. Bonds9

About N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine

N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 66440753) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID66440753
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cnn(C(CC)CC)c1CCC
InChIInChI=1S/C15H29N3/c1-5-9-15-13(11-16-10-6-2)12-17-18(15)14(7-3)8-4/h12,14,16H,5-11H2,1-4H3
InChIKeyCNEHOFBKZVDGNL-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.70
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-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine (CID 66440753) is N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine is CCCNCc1cnn(C(CC)CC)c1CCC.
What is the InChIKey of N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is CNEHOFBKZVDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-9-15-13(11-16-10-6-2)12-17-18(15)14(7-3)8-4/h12,14,16H,5-11H2,1-4H3.
What are the key properties of N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine?
N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66440753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).