4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide

C13H22N4O — CID 114107088

IUPAC4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1(CC)CCC1
InChIInChI=1S/C13H22N4O/c1-3-13(6-5-7-13)9-15-12(18)11-10(14)8-16-17(11)4-2/h8H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyLXIADNQVXIDAQD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide (PubChem CID 114107088) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide
PubChem CID114107088
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCC1(CC)CCC1
InChIInChI=1S/C13H22N4O/c1-3-13(6-5-7-13)9-15-12(18)11-10(14)8-16-17(11)4-2/h8H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyLXIADNQVXIDAQD-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(1-hydroxycycloheptyl)methyl]pyrazole-5-carboxamide
CID 65358828
4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358827
4-amino-1-ethyl-N-[1-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 65358673
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 114107091
4-amino-1-ethyl-N-(2-piperidin-1-ylpropyl)pyrazole-5-carboxamide
CID 65357655
4-amino-1-ethyl-N-[(2-methylcyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358665
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide (CID 114107088) is 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCC1(CC)CCC1.
What is the InChIKey of 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide?
The InChIKey is LXIADNQVXIDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-13(6-5-7-13)9-15-12(18)11-10(14)8-16-17(11)4-2/h8H,3-7,9,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(1-ethylcyclobutyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 114107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).