methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate

C18H23N5O3 — CID 141493475

IUPACmethyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C18H23N5O3/c1-22-6-8-23(9-7-22)12-13-4-3-5-14(10-13)17(24)20-15-11-19-21-16(15)18(25)26-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyLGYYQRWOCPTCKI-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.20
Rot. Bonds5

About methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate

methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate (PubChem CID 141493475) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
PubChem CID141493475
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Namemethyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1NC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C18H23N5O3/c1-22-6-8-23(9-7-22)12-13-4-3-5-14(10-13)17(24)20-15-11-19-21-16(15)18(25)26-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyLGYYQRWOCPTCKI-UHFFFAOYSA-N
XLogP1.20
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 141493476
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
methyl 4-[[3-[(4-acetylpiperazin-1-yl)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxylate
CID 141493504
1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
CID 175015464
N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86783956
2,6-dichloro-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 18422103
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate (CID 141493475) is methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1NC(=O)c1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate?
The InChIKey is LGYYQRWOCPTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22-6-8-23(9-7-22)12-13-4-3-5-14(10-13)17(24)20-15-11-19-21-16(15)18(25)26-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate?
methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 141493475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).