2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide

C21H28ClN5O2 — CID 134014653

IUPAC2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1
InChIInChI=1S/C21H28ClN5O2/c1-3-9-23-18(28)15-25-10-12-26(13-11-25)21(29)19-16(2)24-27(20(19)22)14-17-7-5-4-6-8-17/h4-8H,3,9-15H2,1-2H3,(H,23,28)
InChIKeyWUSUUUXKCKSFEW-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.18
Rot. Bonds7

About 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide

2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 134014653) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
PubChem CID134014653
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1
InChIInChI=1S/C21H28ClN5O2/c1-3-9-23-18(28)15-25-10-12-26(13-11-25)21(29)19-16(2)24-27(20(19)22)14-17-7-5-4-6-8-17/h4-8H,3,9-15H2,1-2H3,(H,23,28)
InChIKeyWUSUUUXKCKSFEW-UHFFFAOYSA-N
XLogP2.18
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 134014564
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447163
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646074
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859788
1-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55837609
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide (CID 134014653) is 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1.
What is the InChIKey of 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is WUSUUUXKCKSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-3-9-23-18(28)15-25-10-12-26(13-11-25)21(29)19-16(2)24-27(20(19)22)14-17-7-5-4-6-8-17/h4-8H,3,9-15H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 417.94 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134014653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).