2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid

C11H15N3O3 — CID 107000358

IUPAC2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1(C)CC1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-11(2)3-8(11)10(17)13-7-4-12-14(5-7)6-9(15)16/h4-5,8H,3,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBXBVDFAFUBZWQJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 107000358) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID107000358
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1(C)CC1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-11(2)3-8(11)10(17)13-7-4-12-14(5-7)6-9(15)16/h4-5,8H,3,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBXBVDFAFUBZWQJ-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
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2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
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2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65157325
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
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2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 115867060
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 66264017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid (CID 107000358) is 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid is CC1(C)CC1C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is BXBVDFAFUBZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)3-8(11)10(17)13-7-4-12-14(5-7)6-9(15)16/h4-5,8H,3,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107000358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).