N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide

C19H24N4O3 — CID 156611250

IUPACN-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1CO
InChIInChI=1S/C19H24N4O3/c1-11-4-5-15(12(2)6-11)16-7-17(22-21-16)19(26)23-8-14(10-24)18(9-23)20-13(3)25/h4-7,14,18,24H,8-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyVQYURTBNBNQOQV-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.26
Rot. Bonds4

About N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide

N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (PubChem CID 156611250) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
PubChem CID156611250
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1CO
InChIInChI=1S/C19H24N4O3/c1-11-4-5-15(12(2)6-11)16-7-17(22-21-16)19(26)23-8-14(10-24)18(9-23)20-13(3)25/h4-7,14,18,24H,8-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyVQYURTBNBNQOQV-UHFFFAOYSA-N
XLogP1.26
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 122084608
N-[(3S,4R)-1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70756793
3-(2,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
CID 166225953
[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 20910921
5-[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 20910873
N-[(3S,4R)-4-(hydroxymethyl)-1-(1-phenylcyclopropanecarbonyl)pyrrolidin-3-yl]acetamide
CID 110202588
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 72862196
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920455
3-(2,4-dimethylphenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 139018672
[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]methanone
CID 50754257
N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 136803178
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119635571

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (CID 156611250) is N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1CO.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is VQYURTBNBNQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-4-5-15(12(2)6-11)16-7-17(22-21-16)19(26)23-8-14(10-24)18(9-23)20-13(3)25/h4-7,14,18,24H,8-10H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156611250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).