N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide

C14H17N3O — CID 102030501

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1c(C)n[nH]c1C
InChIInChI=1S/C14H17N3O/c1-9-13(10(2)17-16-9)14(15-11(3)18)12-7-5-4-6-8-12/h4-8,14H,1-3H3,(H,15,18)(H,16,17)
InChIKeyBIYALGVOROHYEK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide (PubChem CID 102030501) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide
PubChem CID102030501
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1c(C)n[nH]c1C
InChIInChI=1S/C14H17N3O/c1-9-13(10(2)17-16-9)14(15-11(3)18)12-7-5-4-6-8-12/h4-8,14H,1-3H3,(H,15,18)(H,16,17)
InChIKeyBIYALGVOROHYEK-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]azanium
CID 7219711
[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-(furan-2-yl)methyl]urea
CID 51970780
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 95207525
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
CID 95189770
N-[(4-chlorophenyl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 134158634
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 50952889
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371
2-[[4-(dimethylamino)benzoyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50977840

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide (CID 102030501) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1c(C)n[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide?
The InChIKey is BIYALGVOROHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-13(10(2)17-16-9)14(15-11(3)18)12-7-5-4-6-8-12/h4-8,14H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 102030501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).