5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide

C14H18N4O2 — CID 22449387

IUPAC5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide
SMILESCCn1nc(COCc2ccccc2)c(C(N)=O)c1N
InChIInChI=1S/C14H18N4O2/c1-2-18-13(15)12(14(16)19)11(17-18)9-20-8-10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H2,16,19)
InChIKeyRSWKPQJPVAXUNQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.30
Rot. Bonds6

About 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide

5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide (PubChem CID 22449387) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide
PubChem CID22449387
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide
SMILESCCn1nc(COCc2ccccc2)c(C(N)=O)c1N
InChIInChI=1S/C14H18N4O2/c1-2-18-13(15)12(14(16)19)11(17-18)9-20-8-10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H2,16,19)
InChIKeyRSWKPQJPVAXUNQ-UHFFFAOYSA-N
XLogP1.30
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide (CID 22449387) is 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide is CCn1nc(COCc2ccccc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide?
The InChIKey is RSWKPQJPVAXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18-13(15)12(14(16)19)11(17-18)9-20-8-10-6-4-3-5-7-10/h3-7H,2,8-9,15H2,1H3,(H2,16,19).
What are the key properties of 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide?
5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-(phenylmethoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 22449387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).