(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone

C21H30N4O — CID 42817686

IUPAC(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCCc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C21H30N4O/c1-4-9-19-20(21(26)24-14-12-23(5-2)13-15-24)17(3)25(22-19)16-18-10-7-6-8-11-18/h6-8,10-11H,4-5,9,12-16H2,1-3H3
InChIKeyDDKBKYTWZXKRHQ-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.97
Rot. Bonds6

About (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone

(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 42817686) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID42817686
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCCc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C21H30N4O/c1-4-9-19-20(21(26)24-14-12-23(5-2)13-15-24)17(3)25(22-19)16-18-10-7-6-8-11-18/h6-8,10-11H,4-5,9,12-16H2,1-3H3
InChIKeyDDKBKYTWZXKRHQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
[1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820374
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 17458243
[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 34580387
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100
(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 42820297
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
4-benzyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,2,4-triazol-3-one
CID 70718408
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 7494641
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone (CID 42817686) is (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone is CCCc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CC)CC1.
What is the InChIKey of (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is DDKBKYTWZXKRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-9-19-20(21(26)24-14-12-23(5-2)13-15-24)17(3)25(22-19)16-18-10-7-6-8-11-18/h6-8,10-11H,4-5,9,12-16H2,1-3H3.
What are the key properties of (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone?
(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 42817686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).