3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide

C14H21N5O — CID 74247612

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C14H21N5O/c1-11-12(2)17-18-13(11)4-5-14(20)16-6-3-8-19-9-7-15-10-19/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyLCXCZKQIOIBVNT-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.36
Rot. Bonds7

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 74247612) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID74247612
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C14H21N5O/c1-11-12(2)17-18-13(11)4-5-14(20)16-6-3-8-19-9-7-15-10-19/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyLCXCZKQIOIBVNT-UHFFFAOYSA-N
XLogP1.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 74247612) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide is Cc1[nH]nc(CCC(=O)NCCCn2ccnc2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is LCXCZKQIOIBVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-12(2)17-18-13(11)4-5-14(20)16-6-3-8-19-9-7-15-10-19/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 74247612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).