2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid

C12H19N3O4 — CID 43357745

IUPAC2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-4-15-10(5-8(14-15)7(2)3)11(17)13-9(6-16)12(18)19/h5,7,9,16H,4,6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyVZYNSLFXVVNTBI-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.20
Rot. Bonds6

About 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid

2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357745) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID43357745
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-4-15-10(5-8(14-15)7(2)3)11(17)13-9(6-16)12(18)19/h5,7,9,16H,4,6H2,1-3H3,(H,13,17)(H,18,19)
InChIKeyVZYNSLFXVVNTBI-UHFFFAOYSA-N
XLogP0.20
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
(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
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
CID 82845310
(2R)-4-amino-2-[(1,3-diethylpyrazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821220
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid (CID 43357745) is 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid is CCn1nc(C(C)C)cc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is VZYNSLFXVVNTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-15-10(5-8(14-15)7(2)3)11(17)13-9(6-16)12(18)19/h5,7,9,16H,4,6H2,1-3H3,(H,13,17)(H,18,19).
What are the key properties of 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).