1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide

C16H20N4O2 — CID 75767454

IUPAC1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(C)c2ccccc2)nn1C
InChIInChI=1S/C16H20N4O2/c1-11-9-14(19-20(11)3)16(22)17-10-15(21)18-12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyHXMPPGDFLROJCH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.34
Rot. Bonds5

About 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 75767454) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
PubChem CID75767454
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(C)c2ccccc2)nn1C
InChIInChI=1S/C16H20N4O2/c1-11-9-14(19-20(11)3)16(22)17-10-15(21)18-12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyHXMPPGDFLROJCH-UHFFFAOYSA-N
XLogP1.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
2-ethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 112992317
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 130485661

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide (CID 75767454) is 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)NC(C)c2ccccc2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is HXMPPGDFLROJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-14(19-20(11)3)16(22)17-10-15(21)18-12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 75767454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).