tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate

C17H30N4O2 — CID 107256328

IUPACtert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
SMILESCCC1CCC(NCc2cnn(C)c2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-6-12-7-8-14(9-12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyNKLYRNXFICQSBQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds5

About tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate

tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate (PubChem CID 107256328) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
PubChem CID107256328
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
SMILESCCC1CCC(NCc2cnn(C)c2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-6-12-7-8-14(9-12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyNKLYRNXFICQSBQ-UHFFFAOYSA-N
XLogP3.44
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-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

tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
CID 107256256
tert-butyl N-[(1S,3S)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 99630915
tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
CID 107256358
tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
CID 107256246
tert-butyl N-[1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrazol-5-yl]carbamate
CID 107256290
tert-butyl 3-[(5-bromo-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 138621940
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide
CID 71921234
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103699329

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate (CID 107256328) is tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate is CCC1CCC(NCc2cnn(C)c2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
The InChIKey is NKLYRNXFICQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-12-7-8-14(9-12)18-10-13-11-19-21(5)15(13)20-16(22)23-17(2,3)4/h11-12,14,18H,6-10H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate?
tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 107256328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).