tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate

C9H15N3O2 — CID 47003356

IUPACtert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyQHQQGFZVUMTRDH-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.43
Rot. Bonds2

About tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate

tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate (PubChem CID 47003356) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate
PubChem CID47003356
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nametert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyQHQQGFZVUMTRDH-UHFFFAOYSA-N
XLogP1.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1H-pyrazol-4-ylmethyl)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

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
CID 103854077
tert-butyl N-(2,2-difluoroethyl)-N-(1H-pyrazol-4-ylmethyl)carbamate
CID 132109711
2,2-difluoroethyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 138559418
2,2,2-trifluoroethyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61564599
2,2,2-trifluoroethyl N-methyl-N-(1H-pyrazol-4-ylmethyl)carbamate
CID 64046376
2-fluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 130165050
2-methyl-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 23039107
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755259
N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755521
tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 60999570
tert-butyl ((1-methyl-1H-pyrazol-4-yl)methyl)carbamate
CID 63789221

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate (CID 47003356) is tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cn[nH]c1.
What is the InChIKey of tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate?
The InChIKey is QHQQGFZVUMTRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate?
tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate has a molecular weight of 197.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate is sourced from PubChem (CID 47003356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).