ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide

C12H23N3O — CID 176998703

IUPACethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC.CCn1nc(C(C)C)cc1C(=O)NC
InChIInChI=1S/C10H17N3O.C2H6/c1-5-13-9(10(14)11-4)6-8(12-13)7(2)3;1-2/h6-7H,5H2,1-4H3,(H,11,14);1-2H3
InChIKeyXOYNRWRPGXZLDP-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.41
Rot. Bonds3

About ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide

ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 176998703) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Nameethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID176998703
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC.CCn1nc(C(C)C)cc1C(=O)NC
InChIInChI=1S/C10H17N3O.C2H6/c1-5-13-9(10(14)11-4)6-8(12-13)7(2)3;1-2/h6-7H,5H2,1-4H3,(H,11,14);1-2H3
InChIKeyXOYNRWRPGXZLDP-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
CID 82845310
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 176998703) is ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC.CCn1nc(C(C)C)cc1C(=O)NC.
What is the InChIKey of ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is XOYNRWRPGXZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.C2H6/c1-5-13-9(10(14)11-4)6-8(12-13)7(2)3;1-2/h6-7H,5H2,1-4H3,(H,11,14);1-2H3.
What are the key properties of ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide?
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 176998703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).