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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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).