2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid

C10H13N3O3 — CID 61018747

IUPAC2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C10H13N3O3/c14-9(15)6-13-5-8(4-11-13)12-10(16)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,16)(H,14,15)
InChIKeyFLAJYCQPDWRIBJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.71
Rot. Bonds4

About 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid

2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 61018747) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
PubChem CID61018747
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C10H13N3O3/c14-9(15)6-13-5-8(4-11-13)12-10(16)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,16)(H,14,15)
InChIKeyFLAJYCQPDWRIBJ-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 83192588
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019036
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid (CID 61018747) is 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)C2CCC2)cn1.
What is the InChIKey of 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is FLAJYCQPDWRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(15)6-13-5-8(4-11-13)12-10(16)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,16)(H,14,15).
What are the key properties of 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid?
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).