4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide

C12H21N5O2 — CID 65354414

IUPAC4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O2/c1-5-17(7-10(18)14-8(2)3)12(19)11-9(13)6-16(4)15-11/h6,8H,5,7,13H2,1-4H3,(H,14,18)
InChIKeyZOZNSCPGQYOKMC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.01
Rot. Bonds5

About 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide

4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 65354414) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
PubChem CID65354414
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O2/c1-5-17(7-10(18)14-8(2)3)12(19)11-9(13)6-16(4)15-11/h6,8H,5,7,13H2,1-4H3,(H,14,18)
InChIKeyZOZNSCPGQYOKMC-UHFFFAOYSA-N
XLogP-0.01
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 65354168
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103187371
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
methyl 3-[(4-amino-1-methylpyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 65354313
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61116726
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
4-amino-1-cyclopropyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 61115970

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide (CID 65354414) is 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is ZOZNSCPGQYOKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-17(7-10(18)14-8(2)3)12(19)11-9(13)6-16(4)15-11/h6,8H,5,7,13H2,1-4H3,(H,14,18).
What are the key properties of 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide?
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65354414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).