1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide

C19H26N4O2 — CID 173052460

IUPAC1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(COc1cccc(-c2cnn(C)c2)c1)NC(=O)C1CCCN1C
InChIInChI=1S/C19H26N4O2/c1-14(21-19(24)18-8-5-9-22(18)2)13-25-17-7-4-6-15(10-17)16-11-20-23(3)12-16/h4,6-7,10-12,14,18H,5,8-9,13H2,1-3H3,(H,21,24)
InChIKeyMBWNPTIYKSXXIQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds6

About 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide

1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 173052460) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID173052460
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(COc1cccc(-c2cnn(C)c2)c1)NC(=O)C1CCCN1C
InChIInChI=1S/C19H26N4O2/c1-14(21-19(24)18-8-5-9-22(18)2)13-25-17-7-4-6-15(10-17)16-11-20-23(3)12-16/h4,6-7,10-12,14,18H,5,8-9,13H2,1-3H3,(H,21,24)
InChIKeyMBWNPTIYKSXXIQ-UHFFFAOYSA-N
XLogP2.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 91548793
N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyridin-2-amine
CID 173096284
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967
(2R)-4,4-difluoro-1-methyl-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91157958
(2S)-N-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94473764
1-[(4-methylpiperidin-1-yl)amino]-4-[3-(1-methylpyrazol-4-yl)phenoxy]butan-2-one
CID 91386780
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91532617
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
CID 173096263
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359
2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 90926280
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
CID 91251709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide (CID 173052460) is 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide is CC(COc1cccc(-c2cnn(C)c2)c1)NC(=O)C1CCCN1C.
What is the InChIKey of 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is MBWNPTIYKSXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(21-19(24)18-8-5-9-22(18)2)13-25-17-7-4-6-15(10-17)16-11-20-23(3)12-16/h4,6-7,10-12,14,18H,5,8-9,13H2,1-3H3,(H,21,24).
What are the key properties of 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide?
1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 173052460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).