N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide

C19H31N9O3 — CID 57348249

IUPACN-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCN(C)C)nn2C)n(C)n1
InChIInChI=1S/C19H31N9O3/c1-25(2)9-7-17(29)21-15-12-14(27(5)24-15)19(31)22-16-11-13(23-28(16)6)18(30)20-8-10-26(3)4/h11-12H,7-10H2,1-6H3,(H,20,30)(H,22,31)(H,21,24,29)
InChIKeyJOKCDCHFQHNCDY-UHFFFAOYSA-N
MW433.52 g/mol
LogP-0.41
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide

N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide (PubChem CID 57348249) has the molecular formula C19H31N9O3 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide
PubChem CID57348249
Molecular FormulaC19H31N9O3
Molecular Weight433.52 g/mol
Exact Mass433.25
IUPAC NameN-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCN(C)C)nn2C)n(C)n1
InChIInChI=1S/C19H31N9O3/c1-25(2)9-7-17(29)21-15-12-14(27(5)24-15)19(31)22-16-11-13(23-28(16)6)18(30)20-8-10-26(3)4/h11-12H,7-10H2,1-6H3,(H,20,30)(H,22,31)(H,21,24,29)
InChIKeyJOKCDCHFQHNCDY-UHFFFAOYSA-N
XLogP-0.41
TPSA129.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide (CID 57348249) is N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide is CN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCN(C)C)nn2C)n(C)n1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is JOKCDCHFQHNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N9O3/c1-25(2)9-7-17(29)21-15-12-14(27(5)24-15)19(31)22-16-11-13(23-28(16)6)18(30)20-8-10-26(3)4/h11-12H,7-10H2,1-6H3,(H,20,30)(H,22,31)(H,21,24,29).
What are the key properties of N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide?
N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 433.52 g/mol, XLogP of -0.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-5-yl]-3-[3-(dimethylamino)propanoylamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 57348249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).