2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

C20H26ClN5O2 — CID 18156929

IUPAC2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H26ClN5O2/c1-15(2)23-19(27)14-24-7-9-25(10-8-24)20(28)17-11-22-26(13-17)12-16-5-3-4-6-18(16)21/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,27)
InChIKeyZWZQVOGXOGEYMC-UHFFFAOYSA-N
MW403.91 g/mol
LogP1.87
Rot. Bonds6

About 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18156929) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18156929
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C20H26ClN5O2/c1-15(2)23-19(27)14-24-7-9-25(10-8-24)20(28)17-11-22-26(13-17)12-16-5-3-4-6-18(16)21/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,27)
InChIKeyZWZQVOGXOGEYMC-UHFFFAOYSA-N
XLogP1.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 30458634
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78827736
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671528
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55901774
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 39688452
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
1-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78898270
[3-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119596054
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 154759833
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 34361675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 18156929) is 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZWZQVOGXOGEYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-15(2)23-19(27)14-24-7-9-25(10-8-24)20(28)17-11-22-26(13-17)12-16-5-3-4-6-18(16)21/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 403.91 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18156929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).