N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide

C19H23N5O — CID 50974491

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-10-15(2)24(22-14)16(3)12-20-19(25)18-7-4-6-17(11-18)13-23-9-5-8-21-23/h4-11,16H,12-13H2,1-3H3,(H,20,25)
InChIKeyZVECMDAGTDQGFC-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 50974491) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID50974491
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)n(C(C)CNC(=O)c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-10-15(2)24(22-14)16(3)12-20-19(25)18-7-4-6-17(11-18)13-23-9-5-8-21-23/h4-11,16H,12-13H2,1-3H3,(H,20,25)
InChIKeyZVECMDAGTDQGFC-UHFFFAOYSA-N
XLogP2.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 141063851
N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 154681644
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 50974491) is N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(C)n(C(C)CNC(=O)c2cccc(Cn3cccn3)c2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is ZVECMDAGTDQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-15(2)24(22-14)16(3)12-20-19(25)18-7-4-6-17(11-18)13-23-9-5-8-21-23/h4-11,16H,12-13H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 50974491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).