N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide

C13H23N5O — CID 80548611

IUPACN-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCn1cc(NC(=O)C(C)(C)N2CCNCC2)cn1
InChIInChI=1S/C13H23N5O/c1-4-18-10-11(9-15-18)16-12(19)13(2,3)17-7-5-14-6-8-17/h9-10,14H,4-8H2,1-3H3,(H,16,19)
InChIKeyXGWZHTYBEWDSRT-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.53
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548611) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548611
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCn1cc(NC(=O)C(C)(C)N2CCNCC2)cn1
InChIInChI=1S/C13H23N5O/c1-4-18-10-11(9-15-18)16-12(19)13(2,3)17-7-5-14-6-8-17/h9-10,14H,4-8H2,1-3H3,(H,16,19)
InChIKeyXGWZHTYBEWDSRT-UHFFFAOYSA-N
XLogP0.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 43543988
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548594
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548611) is N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide is CCn1cc(NC(=O)C(C)(C)N2CCNCC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is XGWZHTYBEWDSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18-10-11(9-15-18)16-12(19)13(2,3)17-7-5-14-6-8-17/h9-10,14H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).