N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C19H23N5O2 — CID 19509735

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c(C)n1
InChIInChI=1S/C19H23N5O2/c1-5-24-11-16(13(3)23-24)12(2)20-19(25)18-10-17(21-22-18)14-7-6-8-15(9-14)26-4/h6-12H,5H2,1-4H3,(H,20,25)(H,21,22)
InChIKeyFEWNTWVRBNONBS-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.10
Rot. Bonds6

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

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509735) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509735
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c(C)n1
InChIInChI=1S/C19H23N5O2/c1-5-24-11-16(13(3)23-24)12(2)20-19(25)18-10-17(21-22-18)14-7-6-8-15(9-14)26-4/h6-12H,5H2,1-4H3,(H,20,25)(H,21,22)
InChIKeyFEWNTWVRBNONBS-UHFFFAOYSA-N
XLogP3.10
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509735) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCn1cc(C(C)NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FEWNTWVRBNONBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-24-11-16(13(3)23-24)12(2)20-19(25)18-10-17(21-22-18)14-7-6-8-15(9-14)26-4/h6-12H,5H2,1-4H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).