2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

C13H21N5O3 — CID 63208896

IUPAC2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(CCN1CCCC1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N5O3/c1-16(6-7-17-4-2-3-5-17)13(21)15-11-8-14-18(9-11)10-12(19)20/h8-9H,2-7,10H2,1H3,(H,15,21)(H,19,20)
InChIKeyRJAYTJMNJLSYJH-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.53
Rot. Bonds6

About 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 63208896) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID63208896
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
SMILESCN(CCN1CCCC1)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N5O3/c1-16(6-7-17-4-2-3-5-17)13(21)15-11-8-14-18(9-11)10-12(19)20/h8-9H,2-7,10H2,1H3,(H,15,21)(H,19,20)
InChIKeyRJAYTJMNJLSYJH-UHFFFAOYSA-N
XLogP0.53
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
1-[2-(azepan-1-yl)ethyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylurea
CID 118792353
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61201915
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61447696
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid (CID 63208896) is 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is CN(CCN1CCCC1)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is RJAYTJMNJLSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-16(6-7-17-4-2-3-5-17)13(21)15-11-8-14-18(9-11)10-12(19)20/h8-9H,2-7,10H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63208896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).