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

C16H21N3O4 — CID 146133192

IUPAC5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
SMILESCC(C)Cn1ncc(NC(=O)c2ccc(C(=O)O)o2)c1C(C)C
InChIInChI=1S/C16H21N3O4/c1-9(2)8-19-14(10(3)4)11(7-17-19)18-15(20)12-5-6-13(23-12)16(21)22/h5-7,9-10H,8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyWZDIAODBABWORO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.21
Rot. Bonds6

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

5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid (PubChem CID 146133192) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
PubChem CID146133192
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
SMILESCC(C)Cn1ncc(NC(=O)c2ccc(C(=O)O)o2)c1C(C)C
InChIInChI=1S/C16H21N3O4/c1-9(2)8-19-14(10(3)4)11(7-17-19)18-15(20)12-5-6-13(23-12)16(21)22/h5-7,9-10H,8H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyWZDIAODBABWORO-UHFFFAOYSA-N
XLogP3.21
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122088382
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]furan-2-carboxylic acid
CID 102806931
1-(6-bromoquinolin-4-yl)-3-[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 166339956
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032573
5-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]furan-2-carboxylic acid
CID 102907539
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091517
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690714
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid (CID 146133192) is 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid is CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)O)o2)c1C(C)C.
What is the InChIKey of 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid?
The InChIKey is WZDIAODBABWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-9(2)8-19-14(10(3)4)11(7-17-19)18-15(20)12-5-6-13(23-12)16(21)22/h5-7,9-10H,8H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid?
5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 146133192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).