N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

C13H15N3O — CID 154513358

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-10-8-12(15-14-10)9-16(2)13(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyVKFCJNDTOGUUHJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (PubChem CID 154513358) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
PubChem CID154513358
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O/c1-10-8-12(15-14-10)9-16(2)13(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyVKFCJNDTOGUUHJ-UHFFFAOYSA-N
XLogP1.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 58166088
N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791182
2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
CID 28685207
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
CID 92553486
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
CID 115879591
1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240215
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 31017135

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide (CID 154513358) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
The InChIKey is VKFCJNDTOGUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-8-12(15-14-10)9-16(2)13(17)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide has a molecular weight of 229.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 154513358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).