3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide

C16H25N5O — CID 91762642

IUPAC3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
SMILESCc1cnn(CCC(=O)NCCCn2ccnc2C(C)C)c1
InChIInChI=1S/C16H25N5O/c1-13(2)16-18-7-10-20(16)8-4-6-17-15(22)5-9-21-12-14(3)11-19-21/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,22)
InChIKeyYNSQIQLJEZIJDS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.11
Rot. Bonds8

About 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide (PubChem CID 91762642) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
PubChem CID91762642
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide
SMILESCc1cnn(CCC(=O)NCCCn2ccnc2C(C)C)c1
InChIInChI=1S/C16H25N5O/c1-13(2)16-18-7-10-20(16)8-4-6-17-15(22)5-9-21-12-14(3)11-19-21/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,22)
InChIKeyYNSQIQLJEZIJDS-UHFFFAOYSA-N
XLogP2.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[3-(4-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483106
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
CID 62137892
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
6-methyl-4-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 118795334
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide (CID 91762642) is 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide is Cc1cnn(CCC(=O)NCCCn2ccnc2C(C)C)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide?
The InChIKey is YNSQIQLJEZIJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13(2)16-18-7-10-20(16)8-4-6-17-15(22)5-9-21-12-14(3)11-19-21/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,22).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 91762642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).