3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide

C19H25N3O3 — CID 74233002

IUPAC3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)(CCNC(=O)c1cc(C(C)=O)n[nH]1)c1ccccc1OC
InChIInChI=1S/C19H25N3O3/c1-5-19(3,14-8-6-7-9-17(14)25-4)10-11-20-18(24)16-12-15(13(2)23)21-22-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyDYSVOJJMRQZBLW-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.11
Rot. Bonds8

About 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide

3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide (PubChem CID 74233002) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
PubChem CID74233002
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
SMILESCCC(C)(CCNC(=O)c1cc(C(C)=O)n[nH]1)c1ccccc1OC
InChIInChI=1S/C19H25N3O3/c1-5-19(3,14-8-6-7-9-17(14)25-4)10-11-20-18(24)16-12-15(13(2)23)21-22-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyDYSVOJJMRQZBLW-UHFFFAOYSA-N
XLogP3.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)-3-methylpentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 122559638
N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
CID 131922320
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 125447015
4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
CID 125447036
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 125438960
N-[3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 122560790
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide (CID 74233002) is 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide is CCC(C)(CCNC(=O)c1cc(C(C)=O)n[nH]1)c1ccccc1OC.
What is the InChIKey of 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DYSVOJJMRQZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-5-19(3,14-8-6-7-9-17(14)25-4)10-11-20-18(24)16-12-15(13(2)23)21-22-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74233002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).