4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

C15H20N4O2 — CID 65359823

IUPAC4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O2/c1-4-19(10-11-5-7-12(21-3)8-6-11)15(20)14-13(16)9-17-18(14)2/h5-9H,4,10,16H2,1-3H3
InChIKeyRATUSLDCACTLFZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds5

About 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65359823) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID65359823
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O2/c1-4-19(10-11-5-7-12(21-3)8-6-11)15(20)14-13(16)9-17-18(14)2/h5-9H,4,10,16H2,1-3H3
InChIKeyRATUSLDCACTLFZ-UHFFFAOYSA-N
XLogP1.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
CID 65359410
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
CID 102990922
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
CID 65359780
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
4-amino-N,N-bis(cyanomethyl)-1-methylpyrazole-5-carboxamide
CID 65356203
4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
CID 65355914
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
4-amino-N-ethyl-1-methyl-N-phenylpyrazole-5-carboxamide
CID 3112957
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 65359823) is 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is RATUSLDCACTLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19(10-11-5-7-12(21-3)8-6-11)15(20)14-13(16)9-17-18(14)2/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).