1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide

C13H18N6O2 — CID 19281178

IUPAC1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cn(CC)nc2C(=O)NC)cn1
InChIInChI=1S/C13H18N6O2/c1-4-18-7-9(6-15-18)12(20)16-10-8-19(5-2)17-11(10)13(21)14-3/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20)
InChIKeyVMQWVQLHCWJDJH-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.73
Rot. Bonds5

About 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide

1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide (PubChem CID 19281178) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
PubChem CID19281178
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cn(CC)nc2C(=O)NC)cn1
InChIInChI=1S/C13H18N6O2/c1-4-18-7-9(6-15-18)12(20)16-10-8-19(5-2)17-11(10)13(21)14-3/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20)
InChIKeyVMQWVQLHCWJDJH-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500798
3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281731
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410856
1-ethyl-N-methyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-3-carboxamide
CID 19410718
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874
4-[(4-chloro-3-nitrobenzoyl)amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410898
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504722
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19551483
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 71979949

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide (CID 19281178) is 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide is CCn1cc(C(=O)Nc2cn(CC)nc2C(=O)NC)cn1.
What is the InChIKey of 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide?
The InChIKey is VMQWVQLHCWJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-4-18-7-9(6-15-18)12(20)16-10-8-19(5-2)17-11(10)13(21)14-3/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20).
What are the key properties of 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide?
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19281178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).