4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide

C19H22N6O2 — CID 19412507

IUPAC4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(C(N)=O)n1
InChIInChI=1S/C19H22N6O2/c1-4-24-11-16(17(23-24)18(20)26)21-19(27)15-7-5-6-14(9-15)10-25-13(3)8-12(2)22-25/h5-9,11H,4,10H2,1-3H3,(H2,20,26)(H,21,27)
InChIKeyPORWBKHGJKPIJR-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.12
Rot. Bonds6

About 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19412507) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19412507
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(C(N)=O)n1
InChIInChI=1S/C19H22N6O2/c1-4-24-11-16(17(23-24)18(20)26)21-19(27)15-7-5-6-14(9-15)10-25-13(3)8-12(2)22-25/h5-9,11H,4,10H2,1-3H3,(H2,20,26)(H,21,27)
InChIKeyPORWBKHGJKPIJR-UHFFFAOYSA-N
XLogP2.12
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19412507) is 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(C(N)=O)n1.
What is the InChIKey of 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is PORWBKHGJKPIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-24-11-16(17(23-24)18(20)26)21-19(27)15-7-5-6-14(9-15)10-25-13(3)8-12(2)22-25/h5-9,11H,4,10H2,1-3H3,(H2,20,26)(H,21,27).
What are the key properties of 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19412507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).