3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

C17H22N4O2 — CID 70721553

IUPAC3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCC3)[nH]n2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)15-12-16(20-19-15)17(22)18-8-11-21-9-2-3-10-21/h4-7,12H,2-3,8-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyABRKYKOWLKUTDQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.91
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70721553) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID70721553
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCC3)[nH]n2)cc1
InChIInChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)15-12-16(20-19-15)17(22)18-8-11-21-9-2-3-10-21/h4-7,12H,2-3,8-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyABRKYKOWLKUTDQ-UHFFFAOYSA-N
XLogP1.91
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97126657
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46978105
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
3-(4-methoxyphenyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 70750973

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (CID 70721553) is 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCCC3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ABRKYKOWLKUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-14-6-4-13(5-7-14)15-12-16(20-19-15)17(22)18-8-11-21-9-2-3-10-21/h4-7,12H,2-3,8-11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70721553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).