N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide

C19H22N6O3 — CID 19339079

IUPACN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cccc(OC)c2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C19H22N6O3/c1-5-25-17(19(27)22-15-10-20-24(3)12(15)2)16(11-21-25)23-18(26)13-7-6-8-14(9-13)28-4/h6-11H,5H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyTZGXNXVDLZHCOY-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.46
Rot. Bonds6

About N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide (PubChem CID 19339079) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
PubChem CID19339079
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2cccc(OC)c2)c1C(=O)Nc1cnn(C)c1C
InChIInChI=1S/C19H22N6O3/c1-5-25-17(19(27)22-15-10-20-24(3)12(15)2)16(11-21-25)23-18(26)13-7-6-8-14(9-13)28-4/h6-11H,5H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyTZGXNXVDLZHCOY-UHFFFAOYSA-N
XLogP2.46
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-cyanobenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19339750
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19339113
4-[(3,5-dimethoxybenzoyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336622
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339776
N-(1-ethyl-5-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19394355
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(1-ethylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 19262390
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
4-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262928

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide (CID 19339079) is N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide is CCn1ncc(NC(=O)c2cccc(OC)c2)c1C(=O)Nc1cnn(C)c1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide?
The InChIKey is TZGXNXVDLZHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-5-25-17(19(27)22-15-10-20-24(3)12(15)2)16(11-21-25)23-18(26)13-7-6-8-14(9-13)28-4/h6-11H,5H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19339079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).