tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate

C13H22N4O2 — CID 175100182

IUPACtert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(C2CCNC2)c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)15-6-10-7-16-17(9-10)11-4-5-14-8-11/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyYKCLGLAEKJOLNO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate

tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate (PubChem CID 175100182) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate
PubChem CID175100182
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(C2CCNC2)c1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)15-6-10-7-16-17(9-10)11-4-5-14-8-11/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyYKCLGLAEKJOLNO-UHFFFAOYSA-N
XLogP1.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]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-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428
benzyl (3R)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 153444626
4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
CID 117124968
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 22285081
tert-butyl N-[[1-(cyclopropylmethyl)pyrazol-4-yl]methylamino]carbamate
CID 166560021
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[3-methyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]butyl]carbamate
CID 107442025
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74237642
tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate
CID 146203721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate (CID 175100182) is tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnn(C2CCNC2)c1.
What is the InChIKey of tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate?
The InChIKey is YKCLGLAEKJOLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)15-6-10-7-16-17(9-10)11-4-5-14-8-11/h7,9,11,14H,4-6,8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate?
tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 175100182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).