N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C19H26N4O2 — CID 118793180

IUPACN-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCC2Cn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-3-14-25-18-9-7-16(8-10-18)21-19(24)23-13-4-6-17(23)15-22-12-5-11-20-22/h5,7-12,17H,2-4,6,13-15H2,1H3,(H,21,24)
InChIKeyMGGPOXXHPZSWBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.76
Rot. Bonds7

About N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 118793180) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID118793180
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)N2CCCC2Cn2cccn2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-3-14-25-18-9-7-16(8-10-18)21-19(24)23-13-4-6-17(23)15-22-12-5-11-20-22/h5,7-12,17H,2-4,6,13-15H2,1H3,(H,21,24)
InChIKeyMGGPOXXHPZSWBL-UHFFFAOYSA-N
XLogP3.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 118775432
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(2R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178657
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178656
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
(2R)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125178914
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125169016
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125168358
(2S)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442228

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 118793180) is N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is CCCCOc1ccc(NC(=O)N2CCCC2Cn2cccn2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is MGGPOXXHPZSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-14-25-18-9-7-16(8-10-18)21-19(24)23-13-4-6-17(23)15-22-12-5-11-20-22/h5,7-12,17H,2-4,6,13-15H2,1H3,(H,21,24).
What are the key properties of N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118793180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).