3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide

C16H20N4O2 — CID 111443078

IUPAC3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-14-5-8-19(10-14)16(22)18-15-4-1-3-13(9-15)11-20-7-2-6-17-20/h1-4,6-7,9,14,21H,5,8,10-12H2,(H,18,22)
InChIKeyNJYWUIXCHDMKNX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.78
Rot. Bonds4

About 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111443078) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID111443078
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-14-5-8-19(10-14)16(22)18-15-4-1-3-13(9-15)11-20-7-2-6-17-20/h1-4,6-7,9,14,21H,5,8,10-12H2,(H,18,22)
InChIKeyNJYWUIXCHDMKNX-UHFFFAOYSA-N
XLogP1.78
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[3-(ethylsulfanylmethyl)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111475142
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
(1R,4S)-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 94653102
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 47746600
2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide (CID 111443078) is 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NJYWUIXCHDMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-12-14-5-8-19(10-14)16(22)18-15-4-1-3-13(9-15)11-20-7-2-6-17-20/h1-4,6-7,9,14,21H,5,8,10-12H2,(H,18,22).
What are the key properties of 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).