phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate

C14H17N3O2 — CID 59394007

IUPACphenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17-11(3)9-13(16-17)15-14(18)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,16,18)
InChIKeyPEMIYHYKVGCHDL-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.38
Rot. Bonds3

About phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate

phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 59394007) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID59394007
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namephenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17-11(3)9-13(16-17)15-14(18)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,16,18)
InChIKeyPEMIYHYKVGCHDL-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
CID 69410368
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
cis-(1S,3R)-2,2-dimethyl-3-[(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389875
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
phenyl N-(4-methyl-5-pyrrolidin-1-yl-2-pyridinyl)carbamate
CID 164583973
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide
CID 155951854
4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
CID 159357622
(3S,3aS,7aS)-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
CID 129347537

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate (CID 59394007) is phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate is Cc1cc(NC(=O)Oc2ccccc2)nn1C(C)C.
What is the InChIKey of phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is PEMIYHYKVGCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)17-11(3)9-13(16-17)15-14(18)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,16,18).
What are the key properties of phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate?
phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 59394007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).