1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

C17H28N4O3 — CID 122088382

IUPAC1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)Cn1ncc(NC(=O)N2CCC(C(=O)O)CC2)c1C(C)C
InChIInChI=1S/C17H28N4O3/c1-11(2)10-21-15(12(3)4)14(9-18-21)19-17(24)20-7-5-13(6-8-20)16(22)23/h9,11-13H,5-8,10H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyYOJKQKZLIUZWCH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.99
Rot. Bonds5

About 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122088382) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122088382
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
SMILESCC(C)Cn1ncc(NC(=O)N2CCC(C(=O)O)CC2)c1C(C)C
InChIInChI=1S/C17H28N4O3/c1-11(2)10-21-15(12(3)4)14(9-18-21)19-17(24)20-7-5-13(6-8-20)16(22)23/h9,11-13H,5-8,10H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyYOJKQKZLIUZWCH-UHFFFAOYSA-N
XLogP2.99
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032573
(3R)-3-(hydroxymethyl)-N-[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidine-1-carboxamide
CID 129358168
4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091517
5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
CID 146133192
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
1-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088177
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122077567
3-(dimethylamino)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]azetidine-1-carboxamide
CID 75505198
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086831
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[(2-chloro-4-propan-2-yloxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090893

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid (CID 122088382) is 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is CC(C)Cn1ncc(NC(=O)N2CCC(C(=O)O)CC2)c1C(C)C.
What is the InChIKey of 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is YOJKQKZLIUZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11(2)10-21-15(12(3)4)14(9-18-21)19-17(24)20-7-5-13(6-8-20)16(22)23/h9,11-13H,5-8,10H2,1-4H3,(H,19,24)(H,22,23).
What are the key properties of 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122088382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).