2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H20N4O3 — CID 106980427

IUPAC2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)C1(C(=O)Nc2cnn(CC(=O)O)c2)CCNC1
InChIInChI=1S/C13H20N4O3/c1-9(2)13(3-4-14-8-13)12(20)16-10-5-15-17(6-10)7-11(18)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXJWORSIGFKBVAT-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.54
Rot. Bonds5

About 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 106980427) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID106980427
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)C1(C(=O)Nc2cnn(CC(=O)O)c2)CCNC1
InChIInChI=1S/C13H20N4O3/c1-9(2)13(3-4-14-8-13)12(20)16-10-5-15-17(6-10)7-11(18)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXJWORSIGFKBVAT-UHFFFAOYSA-N
XLogP0.54
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63135004
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
CID 63139510
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119728672
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 102656073
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
N-(1-ethyl-6-oxo-3-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980000
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 106980427) is 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CC(C)C1(C(=O)Nc2cnn(CC(=O)O)c2)CCNC1.
What is the InChIKey of 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is XJWORSIGFKBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)13(3-4-14-8-13)12(20)16-10-5-15-17(6-10)7-11(18)19/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106980427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).