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

C15H25N3O3 — CID 82845310

IUPAC5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-18-13(9-12(17-18)10(2)3)15(21)16-11(4)7-6-8-14(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyANNNGJHJRFUQMN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.40
Rot. Bonds8

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

5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid (PubChem CID 82845310) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
PubChem CID82845310
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-18-13(9-12(17-18)10(2)3)15(21)16-11(4)7-6-8-14(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyANNNGJHJRFUQMN-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
(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
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085
5-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]hexanoic acid
CID 82855293
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 61247059
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid (CID 82845310) is 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid is CCn1nc(C(C)C)cc1C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is ANNNGJHJRFUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-18-13(9-12(17-18)10(2)3)15(21)16-11(4)7-6-8-14(19)20/h9-11H,5-8H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid?
5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82845310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).