4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide

C13H16N4O — CID 61393919

IUPAC4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-17(2)9-10-3-5-11(6-4-10)13(18)15-12-7-8-14-16-12/h3-8H,9H2,1-2H3,(H2,14,15,16,18)
InChIKeyKRQAWWQKFJLEDR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.72
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide

4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393919) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393919
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H16N4O/c1-17(2)9-10-3-5-11(6-4-10)13(18)15-12-7-8-14-16-12/h3-8H,9H2,1-2H3,(H2,14,15,16,18)
InChIKeyKRQAWWQKFJLEDR-UHFFFAOYSA-N
XLogP1.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-(1H-pyrazol-5-yl)benzamide
CID 61394435
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
6-(diethylamino)-N-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 71934785
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106
4-[(dimethylamino)methyl]-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)benzamide
CID 134702961
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide (CID 61393919) is 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide is CN(C)Cc1ccc(C(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is KRQAWWQKFJLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(2)9-10-3-5-11(6-4-10)13(18)15-12-7-8-14-16-12/h3-8H,9H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide?
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).