N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H20N6O2 — CID 19281731

IUPACN-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)NC)n1
InChIInChI=1S/C14H20N6O2/c1-6-20-7-10(12(18-20)14(22)15-4)16-13(21)11-8(2)17-19(5)9(11)3/h7H,6H2,1-5H3,(H,15,22)(H,16,21)
InChIKeyKQBFTHZXHFZIDK-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.87
Rot. Bonds4

About N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 19281731) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID19281731
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)NC)n1
InChIInChI=1S/C14H20N6O2/c1-6-20-7-10(12(18-20)14(22)15-4)16-13(21)11-8(2)17-19(5)9(11)3/h7H,6H2,1-5H3,(H,15,22)(H,16,21)
InChIKeyKQBFTHZXHFZIDK-UHFFFAOYSA-N
XLogP0.87
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-ethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19281718
1-ethyl-3,5-dimethyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19472242
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874
methyl 4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19480542
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
propan-2-yl 4-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19404390
3-N,5-N-bis(1-ethyl-3-methylpyrazol-4-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097370

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 19281731) is N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is CCn1cc(NC(=O)c2c(C)nn(C)c2C)c(C(=O)NC)n1.
What is the InChIKey of N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is KQBFTHZXHFZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-6-20-7-10(12(18-20)14(22)15-4)16-13(21)11-8(2)17-19(5)9(11)3/h7H,6H2,1-5H3,(H,15,22)(H,16,21).
What are the key properties of N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).