tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate

C18H25N5O2 — CID 99855500

IUPACtert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-15-8-6-7-14(15)21-13-11-20-23(12-13)16-9-4-5-10-19-16/h4-5,9-12,14-15,21H,6-8H2,1-3H3,(H,22,24)/t14-,15+/m1/s1
InChIKeyFKEBPLCYBDPLHY-CABCVRRESA-N
MW343.43 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate (PubChem CID 99855500) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate
PubChem CID99855500
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nametert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1cnn(-c2ccccn2)c1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-15-8-6-7-14(15)21-13-11-20-23(12-13)16-9-4-5-10-19-16/h4-5,9-12,14-15,21H,6-8H2,1-3H3,(H,22,24)/t14-,15+/m1/s1
InChIKeyFKEBPLCYBDPLHY-CABCVRRESA-N
XLogP3.12
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]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-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2R)-2-[[6-cyano-5-[[6-(triazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]amino]cyclohexyl]carbamate
CID 131734334
tert-butyl 5-[[5-chloro-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 126665344
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[(2R)-2-(1,3-dioxoisoindol-2-yl)cyclohexyl]carbamate
CID 163830103
2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 86778865
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate (CID 99855500) is tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1Nc1cnn(-c2ccccn2)c1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The InChIKey is FKEBPLCYBDPLHY-CABCVRRESA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)25-17(24)22-15-8-6-7-14(15)21-13-11-20-23(12-13)16-9-4-5-10-19-16/h4-5,9-12,14-15,21H,6-8H2,1-3H3,(H,22,24)/t14-,15+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(1-pyridin-2-ylpyrazol-4-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 99855500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).