tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate

C14H25N5O3 — CID 104932662

IUPACtert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
SMILESCCc1nn(C)c(C(=O)NCCNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C14H25N5O3/c1-6-9-10(15)11(19(5)18-9)12(20)16-7-8-17-13(21)22-14(2,3)4/h6-8,15H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyWYKILBPKKPYGHJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.82
Rot. Bonds5

About tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate (PubChem CID 104932662) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
PubChem CID104932662
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Nametert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
SMILESCCc1nn(C)c(C(=O)NCCNC(=O)OC(C)(C)C)c1N
InChIInChI=1S/C14H25N5O3/c1-6-9-10(15)11(19(5)18-9)12(20)16-7-8-17-13(21)22-14(2,3)4/h6-8,15H2,1-5H3,(H,16,20)(H,17,21)
InChIKeyWYKILBPKKPYGHJ-UHFFFAOYSA-N
XLogP0.82
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
4-amino-3-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66119082
tert-butyl N-[2-[[3,6-diamino-5-(propylcarbamoyl)pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 70923387
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
CID 66122980
4-amino-3-ethyl-1-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-5-carboxamide
CID 66123952
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
CID 83116801
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123758
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate (CID 104932662) is tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate is CCc1nn(C)c(C(=O)NCCNC(=O)OC(C)(C)C)c1N.
What is the InChIKey of tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate?
The InChIKey is WYKILBPKKPYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-6-9-10(15)11(19(5)18-9)12(20)16-7-8-17-13(21)22-14(2,3)4/h6-8,15H2,1-5H3,(H,16,20)(H,17,21).
What are the key properties of tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate has a molecular weight of 311.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 104932662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).