2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C16H22N4O — CID 62835939

IUPAC2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCCNC(C)(C)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-4-18-16(2,3)15(21)17-10-13-11-19-20(12-13)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,17,21)
InChIKeyAEXKQEYSPJSQQD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.88
Rot. Bonds6

About 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 62835939) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID62835939
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCCNC(C)(C)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-4-18-16(2,3)15(21)17-10-13-11-19-20(12-13)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,17,21)
InChIKeyAEXKQEYSPJSQQD-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 62836683
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
2-ethyl-2-[[(1-phenylpyrazol-4-yl)methylamino]methyl]butanoic acid
CID 122129184
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 62835939) is 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CCNC(C)(C)C(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is AEXKQEYSPJSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-18-16(2,3)15(21)17-10-13-11-19-20(12-13)14-8-6-5-7-9-14/h5-9,11-12,18H,4,10H2,1-3H3,(H,17,21).
What are the key properties of 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 62835939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).