3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide

C19H20N4O2 — CID 70738833

IUPAC3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)c3ncccc3C)[nH]n2)c1
InChIInChI=1S/C19H20N4O2/c1-12-6-5-9-20-18(12)13(2)21-19(24)17-11-16(22-23-17)14-7-4-8-15(10-14)25-3/h4-11,13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyFTWFDSHQBBGUPI-ZDUSSCGKSA-N
MW336.40 g/mol
LogP3.28
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 70738833) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID70738833
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H](C)c3ncccc3C)[nH]n2)c1
InChIInChI=1S/C19H20N4O2/c1-12-6-5-9-20-18(12)13(2)21-19(24)17-11-16(22-23-17)14-7-4-8-15(10-14)25-3/h4-11,13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyFTWFDSHQBBGUPI-ZDUSSCGKSA-N
XLogP3.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide (CID 70738833) is 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ncccc3C)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FTWFDSHQBBGUPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-5-9-20-18(12)13(2)21-19(24)17-11-16(22-23-17)14-7-4-8-15(10-14)25-3/h4-11,13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70738833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).