3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C17H22N4O — CID 46339350

IUPAC3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1cccn1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C17H22N4O/c22-17(7-12-21-11-4-8-18-21)19-16-6-3-5-15(13-16)14-20-9-1-2-10-20/h3-6,8,11,13H,1-2,7,9-10,12,14H2,(H,19,22)
InChIKeyAXNXDFRSHWNUBZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds6

About 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 46339350) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID46339350
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1cccn1)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C17H22N4O/c22-17(7-12-21-11-4-8-18-21)19-16-6-3-5-15(13-16)14-20-9-1-2-10-20/h3-6,8,11,13H,1-2,7,9-10,12,14H2,(H,19,22)
InChIKeyAXNXDFRSHWNUBZ-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 46339350) is 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is O=C(CCn1cccn1)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is AXNXDFRSHWNUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(7-12-21-11-4-8-18-21)19-16-6-3-5-15(13-16)14-20-9-1-2-10-20/h3-6,8,11,13H,1-2,7,9-10,12,14H2,(H,19,22).
What are the key properties of 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46339350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).