4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide

C15H20N4O2 — CID 107843338

IUPAC4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2cccc(OC)c2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-12-13(16)14(19-18-12)15(20)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVLYYTYPFFIDQLH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 107843338) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID107843338
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCc2cccc(OC)c2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-12-13(16)14(19-18-12)15(20)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVLYYTYPFFIDQLH-UHFFFAOYSA-N
XLogP1.54
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99433632
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 47222257
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide (CID 107843338) is 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCc2cccc(OC)c2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VLYYTYPFFIDQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-12-13(16)14(19-18-12)15(20)17-8-7-10-5-4-6-11(9-10)21-2/h4-6,9H,3,7-8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107843338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).