1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C11H16N4O3 — CID 54982277

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-7-8(6-13-14-7)5-12-11(18)15-4-2-3-9(15)10(16)17/h6,9H,2-5H2,1H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyMXOGHGBVNLMWQC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.48
Rot. Bonds3

About 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54982277) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID54982277
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-7-8(6-13-14-7)5-12-11(18)15-4-2-3-9(15)10(16)17/h6,9H,2-5H2,1H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyMXOGHGBVNLMWQC-UHFFFAOYSA-N
XLogP0.48
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266735
(2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 54982040
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041
2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 54982042
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 54982089
1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54982181
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 54982183
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 54982184
2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 54982229
3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54982230
4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982231
6-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 54982276

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 54982277) is 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1[nH]ncc1CNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MXOGHGBVNLMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-8(6-13-14-7)5-12-11(18)15-4-2-3-9(15)10(16)17/h6,9H,2-5H2,1H3,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54982277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).