2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid

C10H15N3O3 — CID 110835219

IUPAC2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)(C)c1cc(C(=O)NCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)7-4-6(12-13-7)9(16)11-5-8(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyUCNHUGXVTLYMEJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.52
Rot. Bonds3

About 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid

2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid (PubChem CID 110835219) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
PubChem CID110835219
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)(C)c1cc(C(=O)NCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-10(2,3)7-4-6(12-13-7)9(16)11-5-8(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyUCNHUGXVTLYMEJ-UHFFFAOYSA-N
XLogP0.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
5-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 71981631
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
2-[4-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231781
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 75516537
5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189651
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119463796

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid (CID 110835219) is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid is CC(C)(C)c1cc(C(=O)NCC(=O)O)n[nH]1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is UCNHUGXVTLYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)7-4-6(12-13-7)9(16)11-5-8(14)15/h4H,5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 110835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).