5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate

C19H26N4O4 — CID 176549664

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)NCCCCCOC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(25)21-11-6-4-8-12-26-17(24)16-13-15(22-23-16)14-9-5-7-10-20-14/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPZCJSENTKUXDRH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.32
Rot. Bonds8

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate

5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 176549664) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
PubChem CID176549664
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCC(C)(C)OC(=O)NCCCCCOC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(25)21-11-6-4-8-12-26-17(24)16-13-15(22-23-16)14-9-5-7-10-20-14/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPZCJSENTKUXDRH-UHFFFAOYSA-N
XLogP3.32
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 74233551
tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983411
tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983473
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
CID 176654073
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate (CID 176549664) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is CC(C)(C)OC(=O)NCCCCCOC(=O)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is PZCJSENTKUXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-19(2,3)27-18(25)21-11-6-4-8-12-26-17(24)16-13-15(22-23-16)14-9-5-7-10-20-14/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 176549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).