N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide

C13H18N6O2 — CID 100815624

IUPACN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(CNC(=O)CNC(=O)c2ccn(C)n2)cnn1C
InChIInChI=1S/C13H18N6O2/c1-9-10(7-16-19(9)3)6-14-12(20)8-15-13(21)11-4-5-18(2)17-11/h4-5,7H,6,8H2,1-3H3,(H,14,20)(H,15,21)
InChIKeyLFXLENVOXAMLCR-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.49
Rot. Bonds5

About N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide

N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 100815624) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
PubChem CID100815624
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESCc1c(CNC(=O)CNC(=O)c2ccn(C)n2)cnn1C
InChIInChI=1S/C13H18N6O2/c1-9-10(7-16-19(9)3)6-14-12(20)8-15-13(21)11-4-5-18(2)17-11/h4-5,7H,6,8H2,1-3H3,(H,14,20)(H,15,21)
InChIKeyLFXLENVOXAMLCR-UHFFFAOYSA-N
XLogP-0.49
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268483
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
1-[(4-tert-butylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19273684
1-[(2,4-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19582495
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267597
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide (CID 100815624) is N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide is Cc1c(CNC(=O)CNC(=O)c2ccn(C)n2)cnn1C.
What is the InChIKey of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is LFXLENVOXAMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-9-10(7-16-19(9)3)6-14-12(20)8-15-13(21)11-4-5-18(2)17-11/h4-5,7H,6,8H2,1-3H3,(H,14,20)(H,15,21).
What are the key properties of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 100815624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).