1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide

C16H22N6O2 — CID 19339991

IUPAC1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1cc(/C=C/C(=O)Nc2cnn(CC)c2C(=O)N(C)C)cn1
InChIInChI=1S/C16H22N6O2/c1-5-21-11-12(9-17-21)7-8-14(23)19-13-10-18-22(6-2)15(13)16(24)20(3)4/h7-11H,5-6H2,1-4H3,(H,19,23)/b8-7+
InChIKeyADAFZBJESYMKPR-BQYQJAHWSA-N
MW330.39 g/mol
LogP1.47
Rot. Bonds6

About 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide

1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19339991) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19339991
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1cc(/C=C/C(=O)Nc2cnn(CC)c2C(=O)N(C)C)cn1
InChIInChI=1S/C16H22N6O2/c1-5-21-11-12(9-17-21)7-8-14(23)19-13-10-18-22(6-2)15(13)16(24)20(3)4/h7-11H,5-6H2,1-4H3,(H,19,23)/b8-7+
InChIKeyADAFZBJESYMKPR-BQYQJAHWSA-N
XLogP1.47
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339082
4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267522
(E)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1-ethylpyrazol-4-yl)-N-methylprop-2-enamide
CID 19460459
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 98220062
1-ethyl-N,N-dimethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559514
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
(E)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19338866
(E)-3-(1-ethylpyrazol-4-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19584527
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19336777
1-ethyl-N-methyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-3-carboxamide
CID 19410718
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477126

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide (CID 19339991) is 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide is CCn1cc(/C=C/C(=O)Nc2cnn(CC)c2C(=O)N(C)C)cn1.
What is the InChIKey of 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is ADAFZBJESYMKPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-5-21-11-12(9-17-21)7-8-14(23)19-13-10-18-22(6-2)15(13)16(24)20(3)4/h7-11H,5-6H2,1-4H3,(H,19,23)/b8-7+.
What are the key properties of 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide?
1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[(E)-3-(1-ethylpyrazol-4-yl)prop-2-enoyl]amino]-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19339991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).