1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide

C12H16N4O — CID 2738502

IUPAC1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccn2C)nn1C
InChIInChI=1S/C12H16N4O/c1-9-7-11(14-16(9)3)12(17)13-8-10-5-4-6-15(10)2/h4-7H,8H2,1-3H3,(H,13,17)
InChIKeyWPAZZFXQFHTPIK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.00
Rot. Bonds3

About 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 2738502) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID2738502
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccn2C)nn1C
InChIInChI=1S/C12H16N4O/c1-9-7-11(14-16(9)3)12(17)13-8-10-5-4-6-15(10)2/h4-7H,8H2,1-3H3,(H,13,17)
InChIKeyWPAZZFXQFHTPIK-UHFFFAOYSA-N
XLogP1.00
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide 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

Netropsin
CID 4461
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
Netropsin dihydrochloride
CID 5351456
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465584
US9670157, 96 2,5-Dimethyl-1-[4-(4-methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrrole-3-carboxylic acid 4-aminomethyl-benzylamide
CID 86290636
US10022354, Example 200
CID 132070229
Netropsin Hydrochloride
CID 149025
1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 649594
(E)-3-methyl-N'-(pyridin-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6886509

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide (CID 2738502) is 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cccn2C)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is WPAZZFXQFHTPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-7-11(14-16(9)3)12(17)13-8-10-5-4-6-15(10)2/h4-7H,8H2,1-3H3,(H,13,17).
What are the key properties of 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2738502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).