tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate

C9H15N3O2 — CID 61283348

IUPACtert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJXNFVHMWICVPPJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.43
Rot. Bonds2

About tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate

tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate (PubChem CID 61283348) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate
PubChem CID61283348
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nametert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJXNFVHMWICVPPJ-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate (CID 61283348) is tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccn[nH]1.
What is the InChIKey of tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The InChIKey is JXNFVHMWICVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-6-7-4-5-11-12-7/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of tert-butyl N-(1H-pyrazol-5-ylmethyl)carbamate?
tert-butyl N-(1H-pyrazol-5-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-5-ylmethyl)carbamate is sourced from PubChem (CID 61283348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).