4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H24N4O — CID 119537934

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC3CCNC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-13-11-14(2)22(21-13)17-5-3-16(4-6-17)18(23)20-10-8-15-7-9-19-12-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyXGEGCNBQAZRXHL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537934) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537934
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC3CCNC3)cc2)n1
InChIInChI=1S/C18H24N4O/c1-13-11-14(2)22(21-13)17-5-3-16(4-6-17)18(23)20-10-8-15-7-9-19-12-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,23)
InChIKeyXGEGCNBQAZRXHL-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537934) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCC3CCNC3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is XGEGCNBQAZRXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-11-14(2)22(21-13)17-5-3-16(4-6-17)18(23)20-10-8-15-7-9-19-12-15/h3-6,11,15,19H,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).