1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

C14H24N4O2 — CID 114829916

IUPAC1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2n[nH]c(C)c2C)C1(C)C
InChIInChI=1S/C14H24N4O2/c1-6-20-10-7-14(15,13(10,4)5)12(19)16-11-8(2)9(3)17-18-11/h10H,6-7,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyAULLYVJHAWANRO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.50
Rot. Bonds4

About 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 114829916) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID114829916
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2n[nH]c(C)c2C)C1(C)C
InChIInChI=1S/C14H24N4O2/c1-6-20-10-7-14(15,13(10,4)5)12(19)16-11-8(2)9(3)17-18-11/h10H,6-7,15H2,1-5H3,(H2,16,17,18,19)
InChIKeyAULLYVJHAWANRO-UHFFFAOYSA-N
XLogP1.50
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
1-amino-3-ethoxy-2,2-dimethyl-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 104979713
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827748
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)cyclobutane-1-carboxamide
CID 114829707
1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 105055820

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide (CID 114829916) is 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2n[nH]c(C)c2C)C1(C)C.
What is the InChIKey of 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is AULLYVJHAWANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-20-10-7-14(15,13(10,4)5)12(19)16-11-8(2)9(3)17-18-11/h10H,6-7,15H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).