4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide

C16H20N4O2 — CID 68758637

IUPAC4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1
InChIInChI=1S/C16H20N4O2/c17-16(21)14-4-3-12(13-10-18-19-11-13)9-15(14)22-8-7-20-5-1-2-6-20/h3-4,9-11H,1-2,5-8H2,(H2,17,21)(H,18,19)
InChIKeyQRSDZFKJCLOREV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.65
Rot. Bonds6

About 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide

4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 68758637) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID68758637
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESNC(=O)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1
InChIInChI=1S/C16H20N4O2/c17-16(21)14-4-3-12(13-10-18-19-11-13)9-15(14)22-8-7-20-5-1-2-6-20/h3-4,9-11H,1-2,5-8H2,(H2,17,21)(H,18,19)
InChIKeyQRSDZFKJCLOREV-UHFFFAOYSA-N
XLogP1.65
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756527
2-[2-[benzyl(methyl)arsanyl]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 87578661
[4-(1H-pyrazol-4-yl)phenyl]-(2-pyrrolidin-1-ylethyl)carbamic acid
CID 91523495
2-[2-(2-oxopyrrolidin-1-yl)ethoxy]-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CID 135143399
3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 143821830
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158095847
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
ethyl 5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2H-triazole-4-carboxylate
CID 169400673

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide (CID 68758637) is 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide is NC(=O)c1ccc(-c2cn[nH]c2)cc1OCCN1CCCC1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is QRSDZFKJCLOREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16(21)14-4-3-12(13-10-18-19-11-13)9-15(14)22-8-7-20-5-1-2-6-20/h3-4,9-11H,1-2,5-8H2,(H2,17,21)(H,18,19).
What are the key properties of 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide?
4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 68758637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).