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

C14H25N3O — CID 122166425

IUPACN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)17-13(10-15-7-4-8-18-3)9-14(16-17)12-5-6-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyHAUXDXLMJQQBQJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds8

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

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 122166425) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
PubChem CID122166425
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)17-13(10-15-7-4-8-18-3)9-14(16-17)12-5-6-12/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyHAUXDXLMJQQBQJ-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-3-methoxypropan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine (CID 122166425) is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine is COCCCNCc1cc(C2CC2)nn1C(C)C.
What is the InChIKey of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is HAUXDXLMJQQBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-13(10-15-7-4-8-18-3)9-14(16-17)12-5-6-12/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine?
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 122166425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).