N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide

C13H24N4O — CID 113232712

IUPACN-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
SMILESCc1cnn(CCNC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H24N4O/c1-10-8-15-17(9-10)7-6-14-11(2)12(18)16-13(3,4)5/h8-9,11,14H,6-7H2,1-5H3,(H,16,18)
InChIKeyAOUMATCFLNQVSP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.08
Rot. Bonds5

About N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide

N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide (PubChem CID 113232712) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
PubChem CID113232712
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
SMILESCc1cnn(CCNC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H24N4O/c1-10-8-15-17(9-10)7-6-14-11(2)12(18)16-13(3,4)5/h8-9,11,14H,6-7H2,1-5H3,(H,16,18)
InChIKeyAOUMATCFLNQVSP-UHFFFAOYSA-N
XLogP1.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
N,N-diethyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 113232717
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide
CID 95607706
2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
CID 113363990
N-tert-butyl-2-[[N'-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]carbamimidoyl]amino]acetamide
CID 111767771
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
4-[2-(4-methylpyrazol-1-yl)ethylamino]pentan-1-ol
CID 115972661
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]propan-1-one
CID 95346896
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
1-(2,5-dimethylfuran-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 113429021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide (CID 113232712) is N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide is Cc1cnn(CCNC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide?
The InChIKey is AOUMATCFLNQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-8-15-17(9-10)7-6-14-11(2)12(18)16-13(3,4)5/h8-9,11,14H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide?
N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-methylpyrazol-1-yl)ethylamino]propanamide is sourced from PubChem (CID 113232712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).