5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide

C20H22N4O2 — CID 162644876

IUPAC5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2c1
InChIInChI=1S/C20H22N4O2/c1-2-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17(20(22)25)19(21)24(23-18)11-12-3-4-12/h5-10,12H,2-4,11,21H2,1H3,(H2,22,25)
InChIKeyOPYNHFDWDPTJTL-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.19
Rot. Bonds6

About 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide

5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide (PubChem CID 162644876) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
PubChem CID162644876
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
SMILESCCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2c1
InChIInChI=1S/C20H22N4O2/c1-2-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17(20(22)25)19(21)24(23-18)11-12-3-4-12/h5-10,12H,2-4,11,21H2,1H3,(H2,22,25)
InChIKeyOPYNHFDWDPTJTL-UHFFFAOYSA-N
XLogP3.19
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide (CID 162644876) is 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide is CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2c1.
What is the InChIKey of 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide?
The InChIKey is OPYNHFDWDPTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17(20(22)25)19(21)24(23-18)11-12-3-4-12/h5-10,12H,2-4,11,21H2,1H3,(H2,22,25).
What are the key properties of 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide?
5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162644876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).