2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H27N5O2 — CID 39457294

IUPAC2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C20H27N5O2/c1-14(2)21-19(26)13-24-8-10-25(11-9-24)20(27)18-12-17(22-23-18)16-6-4-15(3)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyYKKHTNDVPGOZQB-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 39457294) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID39457294
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C20H27N5O2/c1-14(2)21-19(26)13-24-8-10-25(11-9-24)20(27)18-12-17(22-23-18)16-6-4-15(3)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyYKKHTNDVPGOZQB-UHFFFAOYSA-N
XLogP1.67
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]amino]-N-propan-2-ylacetamide
CID 71911890
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55519631
[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 131928830
2-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156894
2-[4-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18278665
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19515077
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
N-butyl-2-[4-[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]acetamide
CID 46920420
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 39457294) is 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)[nH]n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YKKHTNDVPGOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)21-19(26)13-24-8-10-25(11-9-24)20(27)18-12-17(22-23-18)16-6-4-15(3)5-7-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 369.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 39457294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).