phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate

C12H14N4O2 — CID 79503744

IUPACphenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1ncc(CN)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H14N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,7,13H2,1H3,(H,15,17)
InChIKeyMTSIBEXFSZFVAU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.49
Rot. Bonds3

About phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate

phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 79503744) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID79503744
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namephenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate
SMILESCn1ncc(CN)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C12H14N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,7,13H2,1H3,(H,15,17)
InChIKeyMTSIBEXFSZFVAU-UHFFFAOYSA-N
XLogP1.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-1-phenylmethanesulfonamide
CID 79503163
benzyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 71265851
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
CID 116658180
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]methanesulfonamide
CID 79504292
1-methyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216611
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 123305303
phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
CID 89189120
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
phenyl N-(2-aminoacetyl)carbamate
CID 20596874
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate (CID 79503744) is phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate is Cn1ncc(CN)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is MTSIBEXFSZFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-11(9(7-13)8-14-16)15-12(17)18-10-5-3-2-4-6-10/h2-6,8H,7,13H2,1H3,(H,15,17).
What are the key properties of phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate?
phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 246.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(aminomethyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 79503744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).