N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide

C13H23N5O — CID 80548312

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)15-12(19)13(3,4)18-7-5-14-6-8-18/h14H,5-8H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyNIECFRVCPGBOQG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.65
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548312) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548312
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)15-12(19)13(3,4)18-7-5-14-6-8-18/h14H,5-8H2,1-4H3,(H,15,19)(H,16,17)
InChIKeyNIECFRVCPGBOQG-UHFFFAOYSA-N
XLogP0.65
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797260
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43547730
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
1-tert-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 43547022
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43546603
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914872

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548312) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide is Cc1n[nH]c(C)c1NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is NIECFRVCPGBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-11(10(2)17-16-9)15-12(19)13(3,4)18-7-5-14-6-8-18/h14H,5-8H2,1-4H3,(H,15,19)(H,16,17).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).