N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C19H22N6O — CID 167831282

IUPACN-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCn1nc(C2CC2)nc1CC(=O)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C19H22N6O/c1-24-17(21-19(23-24)15-7-8-15)11-18(26)25(13-16-9-10-20-22-16)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,22)
InChIKeyPXBHPHWVKCQPGZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.19
Rot. Bonds7

About N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide

N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 167831282) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID167831282
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESCn1nc(C2CC2)nc1CC(=O)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C19H22N6O/c1-24-17(21-19(23-24)15-7-8-15)11-18(26)25(13-16-9-10-20-22-16)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,22)
InChIKeyPXBHPHWVKCQPGZ-UHFFFAOYSA-N
XLogP2.19
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
CID 154879911
(2R)-N-benzyl-2-methoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 97061659
N-benzyl-4,4,4-trifluoro-3-methoxy-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 166240629
N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110498373
(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 95157473
N-cyclopropyl-N-[[5-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146092872
2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139795
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
1-benzyl-1-cyclohexyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 167918665
N-benzyl-6-cyclopropyl-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31741626
4-[[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]methyl]benzoic acid
CID 79139693
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 167831282) is N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is Cn1nc(C2CC2)nc1CC(=O)N(Cc1ccccc1)Cc1ccn[nH]1.
What is the InChIKey of N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is PXBHPHWVKCQPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-17(21-19(23-24)15-7-8-15)11-18(26)25(13-16-9-10-20-22-16)12-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 167831282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).