1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid

C19H25N5O3 — CID 175015464

IUPAC1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
SMILESCc1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c(C(=O)O)nn1C
InChIInChI=1S/C19H25N5O3/c1-13-16(17(19(26)27)21-23(13)3)20-18(25)15-6-4-5-14(11-15)12-24-9-7-22(2)8-10-24/h4-6,11H,7-10,12H2,1-3H3,(H,20,25)(H,26,27)
InChIKeyKNORBGNJFVDZFP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.43
Rot. Bonds5

About 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid

1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid (PubChem CID 175015464) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
PubChem CID175015464
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid
SMILESCc1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c(C(=O)O)nn1C
InChIInChI=1S/C19H25N5O3/c1-13-16(17(19(26)27)21-23(13)3)20-18(25)15-6-4-5-14(11-15)12-24-9-7-22(2)8-10-24/h4-6,11H,7-10,12H2,1-3H3,(H,20,25)(H,26,27)
InChIKeyKNORBGNJFVDZFP-UHFFFAOYSA-N
XLogP1.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86783956
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822
methyl 4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1H-pyrazole-5-carboxylate
CID 141493475
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
2,6-dichloro-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 18422103
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923749
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid (CID 175015464) is 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid is Cc1c(NC(=O)c2cccc(CN3CCN(C)CC3)c2)c(C(=O)O)nn1C.
What is the InChIKey of 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid?
The InChIKey is KNORBGNJFVDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-16(17(19(26)27)21-23(13)3)20-18(25)15-6-4-5-14(11-15)12-24-9-7-22(2)8-10-24/h4-6,11H,7-10,12H2,1-3H3,(H,20,25)(H,26,27).
What are the key properties of 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid?
1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrazole-3-carboxylic acid is sourced from PubChem (CID 175015464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).