[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid

C17H22N4O2 — CID 139401420

IUPAC[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid
SMILESCN(c1ccc2c(c1)CCC[C@H]2CNC(=O)O)c1ccn(C)n1
InChIInChI=1S/C17H22N4O2/c1-20-9-8-16(19-20)21(2)14-6-7-15-12(10-14)4-3-5-13(15)11-18-17(22)23/h6-10,13,18H,3-5,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyGDZJSTJXAFMZIY-ZDUSSCGKSA-N
MW314.39 g/mol
LogP2.88
Rot. Bonds4

About [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid

[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid (PubChem CID 139401420) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid
PubChem CID139401420
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid
SMILESCN(c1ccc2c(c1)CCC[C@H]2CNC(=O)O)c1ccn(C)n1
InChIInChI=1S/C17H22N4O2/c1-20-9-8-16(19-20)21(2)14-6-7-15-12(10-14)4-3-5-13(15)11-18-17(22)23/h6-10,13,18H,3-5,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyGDZJSTJXAFMZIY-ZDUSSCGKSA-N
XLogP2.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid?
The IUPAC name of [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid (CID 139401420) is [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid.
What is the SMILES notation for [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid?
The canonical SMILES for [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid is CN(c1ccc2c(c1)CCC[C@H]2CNC(=O)O)c1ccn(C)n1.
What is the InChIKey of [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid?
The InChIKey is GDZJSTJXAFMZIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-9-8-16(19-20)21(2)14-6-7-15-12(10-14)4-3-5-13(15)11-18-17(22)23/h6-10,13,18H,3-5,11H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid?
[(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid has a molecular weight of 314.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-[methyl-(1-methylpyrazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methylcarbamic acid is sourced from PubChem (CID 139401420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).