tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate

C14H26N4O2 — CID 103740168

IUPACtert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESCCCn1cc(CNCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H26N4O2/c1-5-8-18-11-12(10-17-18)9-15-6-7-16-13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,19)
InChIKeyHVERVSCGECTQPR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.91
Rot. Bonds7

About tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 103740168) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
PubChem CID103740168
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
SMILESCCCn1cc(CNCCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H26N4O2/c1-5-8-18-11-12(10-17-18)9-15-6-7-16-13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,19)
InChIKeyHVERVSCGECTQPR-UHFFFAOYSA-N
XLogP1.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
tert-butyl N-[3-(1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169467138
tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 103714741
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate (CID 103740168) is tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate is CCCn1cc(CNCCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is HVERVSCGECTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-8-18-11-12(10-17-18)9-15-6-7-16-13(19)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 282.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 103740168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).