5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide

C22H27N5O2 — CID 86342044

IUPAC5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28)
InChIKeySHQJMIVAJKVTPY-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.76
Rot. Bonds6

About 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide

5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342044) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342044
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28)
InChIKeySHQJMIVAJKVTPY-UHFFFAOYSA-N
XLogP3.76
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide (CID 86342044) is 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(CC4CCCCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is SHQJMIVAJKVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-29-17-9-8-15-10-16(12-25-18(15)11-17)20-19(22(24)28)21(23)27(26-20)13-14-6-4-3-5-7-14/h8-12,14H,2-7,13,23H2,1H3,(H2,24,28).
What are the key properties of 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclohexylmethyl)-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).