phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate

C14H17N3O2 — CID 79036776

IUPACphenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
SMILESCc1nn(C)c(C)c1CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-13(11(2)17(3)16-10)9-15-14(18)19-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyKXVGYUAAQGRXBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.33
Rot. Bonds3

About phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate

phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate (PubChem CID 79036776) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
PubChem CID79036776
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namephenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
SMILESCc1nn(C)c(C)c1CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-13(11(2)17(3)16-10)9-15-14(18)19-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyKXVGYUAAQGRXBY-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
2-methyl-1-[(4-phenoxyphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950720
[3-(benzylcarbamoyl)phenyl] 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 55478627
1-(2-bromophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 20964064
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
2-phenyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 79231907
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate (CID 79036776) is phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate is Cc1nn(C)c(C)c1CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
The InChIKey is KXVGYUAAQGRXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-13(11(2)17(3)16-10)9-15-14(18)19-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate?
phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate has a molecular weight of 259.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 79036776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).