phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate

C12H13N3O2 — CID 82874679

IUPACphenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
SMILESCn1ccc(CNC(=O)Oc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)9-13-12(16)17-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,16)
InChIKeyPNXHFTAELCOWBV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.71
Rot. Bonds3

About phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate

phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate (PubChem CID 82874679) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
PubChem CID82874679
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namephenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
SMILESCn1ccc(CNC(=O)Oc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)9-13-12(16)17-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,16)
InChIKeyPNXHFTAELCOWBV-UHFFFAOYSA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 79036776
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
phenyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401105
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-cyano-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 82873118
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 100830431
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 100830781

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate (CID 82874679) is phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate is Cn1ccc(CNC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate?
The InChIKey is PNXHFTAELCOWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-8-7-10(14-15)9-13-12(16)17-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,16).
What are the key properties of phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate?
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate is sourced from PubChem (CID 82874679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).