phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate

C12H10N4O2 — CID 79503955

IUPACphenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
SMILESCn1ncc(C#N)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H10N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,17)
InChIKeyWNMJUFINSZFOSG-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.90
Rot. Bonds2

About phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate

phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate (PubChem CID 79503955) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
PubChem CID79503955
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Namephenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
SMILESCn1ncc(C#N)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H10N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,17)
InChIKeyWNMJUFINSZFOSG-UHFFFAOYSA-N
XLogP1.90
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-phenylacetamide
CID 79504037
phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate
CID 79503744
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 112723108
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
phenyl N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]carbamate
CID 155201986
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate (CID 79503955) is phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate is Cn1ncc(C#N)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate?
The InChIKey is WNMJUFINSZFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,17).
What are the key properties of phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate?
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate has a molecular weight of 242.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate is sourced from PubChem (CID 79503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).