[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid

C19H20N4O2 — CID 118339243

IUPAC[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid
SMILESCc1ccc(-c2ccn(-c3ccc(C)c(CNC(=O)O)c3)n2)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-4-6-16(10-15(12)11-20-19(24)25)23-9-8-18(22-23)17-7-5-13(2)21-14(17)3/h4-10,20H,11H2,1-3H3,(H,24,25)
InChIKeyMDCLUTRBJWNNRZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.63
Rot. Bonds4

About [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid

[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid (PubChem CID 118339243) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid.

Molecular Properties

Compound Name[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid
PubChem CID118339243
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid
SMILESCc1ccc(-c2ccn(-c3ccc(C)c(CNC(=O)O)c3)n2)c(C)n1
InChIInChI=1S/C19H20N4O2/c1-12-4-6-16(10-15(12)11-20-19(24)25)23-9-8-18(22-23)17-7-5-13(2)21-14(17)3/h4-10,20H,11H2,1-3H3,(H,24,25)
InChIKeyMDCLUTRBJWNNRZ-UHFFFAOYSA-N
XLogP3.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid?
The IUPAC name of [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid (CID 118339243) is [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid.
What is the SMILES notation for [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid?
The canonical SMILES for [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid is Cc1ccc(-c2ccn(-c3ccc(C)c(CNC(=O)O)c3)n2)c(C)n1.
What is the InChIKey of [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid?
The InChIKey is MDCLUTRBJWNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-6-16(10-15(12)11-20-19(24)25)23-9-8-18(22-23)17-7-5-13(2)21-14(17)3/h4-10,20H,11H2,1-3H3,(H,24,25).
What are the key properties of [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid?
[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid has a molecular weight of 336.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid is sourced from PubChem (CID 118339243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).