tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate

C15H25N3O2 — CID 168960443

IUPACtert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(Cn2cccn2)C1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13-7-4-6-12(10-13)11-18-9-5-8-16-18/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyUQBHGMXPGRMJNJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate

tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate (PubChem CID 168960443) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate
PubChem CID168960443
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(Cn2cccn2)C1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13-7-4-6-12(10-13)11-18-9-5-8-16-18/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,17,19)
InChIKeyUQBHGMXPGRMJNJ-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]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

tert-butyl N-[(1S,3R)-3-(imidazol-1-ylmethyl)cyclohexyl]carbamate
CID 141424903
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
tert-butyl N-[3-(iodomethyl)cyclohexyl]carbamate
CID 70036969
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate (CID 168960443) is tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(Cn2cccn2)C1.
What is the InChIKey of tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate?
The InChIKey is UQBHGMXPGRMJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-13-7-4-6-12(10-13)11-18-9-5-8-16-18/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate?
tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(pyrazol-1-ylmethyl)cyclohexyl]carbamate is sourced from PubChem (CID 168960443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).