1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C14H22N4O3 — CID 106978445

IUPAC1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C14H22N4O3/c1-3-5-14(12(19)20)6-4-7-18(14)13(21)17(2)10-11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,15,16)(H,19,20)
InChIKeySXFFBZKCNZQTEZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.68
Rot. Bonds5

About 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978445) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978445
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)Cc1cn[nH]c1
InChIInChI=1S/C14H22N4O3/c1-3-5-14(12(19)20)6-4-7-18(14)13(21)17(2)10-11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,15,16)(H,19,20)
InChIKeySXFFBZKCNZQTEZ-UHFFFAOYSA-N
XLogP1.68
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropylmethyl(methyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978274
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978343
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978650
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
2-ethyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063861
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978445) is 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N(C)Cc1cn[nH]c1.
What is the InChIKey of 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is SXFFBZKCNZQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-5-14(12(19)20)6-4-7-18(14)13(21)17(2)10-11-8-15-16-9-11/h8-9H,3-7,10H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).