3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide

C19H27N5O — CID 110109496

IUPAC3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
SMILESCCn1cc(CN2CCNCC2c2cccc(C(=O)NC)c2)c(C)n1
InChIInChI=1S/C19H27N5O/c1-4-24-13-17(14(2)22-24)12-23-9-8-21-11-18(23)15-6-5-7-16(10-15)19(25)20-3/h5-7,10,13,18,21H,4,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyFRNBEGXVYMKABX-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.72
Rot. Bonds5

About 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide

3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 110109496) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID110109496
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
SMILESCCn1cc(CN2CCNCC2c2cccc(C(=O)NC)c2)c(C)n1
InChIInChI=1S/C19H27N5O/c1-4-24-13-17(14(2)22-24)12-23-9-8-21-11-18(23)15-6-5-7-16(10-15)19(25)20-3/h5-7,10,13,18,21H,4,8-9,11-12H2,1-3H3,(H,20,25)
InChIKeyFRNBEGXVYMKABX-UHFFFAOYSA-N
XLogP1.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
3-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124998546
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide (CID 110109496) is 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide is CCn1cc(CN2CCNCC2c2cccc(C(=O)NC)c2)c(C)n1.
What is the InChIKey of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is FRNBEGXVYMKABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-24-13-17(14(2)22-24)12-23-9-8-21-11-18(23)15-6-5-7-16(10-15)19(25)20-3/h5-7,10,13,18,21H,4,8-9,11-12H2,1-3H3,(H,20,25).
What are the key properties of 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide?
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 341.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 110109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).