[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid

C14H16N4O3 — CID 91365212

IUPAC[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid
SMILESCc1[nH]ncc1-c1ccc(NC(=O)O)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H16N4O3/c1-8-11(7-15-17-8)9-4-5-12(16-14(20)21)10(6-9)13(19)18(2)3/h4-7,16H,1-3H3,(H,15,17)(H,20,21)
InChIKeyHJGQFLXYTDCPFX-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.18
Rot. Bonds3

About [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid

[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid (PubChem CID 91365212) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid
PubChem CID91365212
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid
SMILESCc1[nH]ncc1-c1ccc(NC(=O)O)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H16N4O3/c1-8-11(7-15-17-8)9-4-5-12(16-14(20)21)10(6-9)13(19)18(2)3/h4-7,16H,1-3H3,(H,15,17)(H,20,21)
InChIKeyHJGQFLXYTDCPFX-UHFFFAOYSA-N
XLogP2.18
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid?
The IUPAC name of [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid (CID 91365212) is [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid?
The canonical SMILES for [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid is Cc1[nH]ncc1-c1ccc(NC(=O)O)c(C(=O)N(C)C)c1.
What is the InChIKey of [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid?
The InChIKey is HJGQFLXYTDCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-11(7-15-17-8)9-4-5-12(16-14(20)21)10(6-9)13(19)18(2)3/h4-7,16H,1-3H3,(H,15,17)(H,20,21).
What are the key properties of [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid?
[2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid has a molecular weight of 288.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylcarbamoyl)-4-(5-methyl-1H-pyrazol-4-yl)phenyl]carbamic acid is sourced from PubChem (CID 91365212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).