3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide

C22H32N4O2 — CID 66927809

IUPAC3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(OCCC2CCCN2C)c(-c2ccnn2C)c1
InChIInChI=1S/C22H32N4O2/c1-16(2)14-22(27)24-17-7-8-21(19(15-17)20-9-11-23-26(20)4)28-13-10-18-6-5-12-25(18)3/h7-9,11,15-16,18H,5-6,10,12-14H2,1-4H3,(H,24,27)
InChIKeyDGTMHUXMBKZKEY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.93
Rot. Bonds8

About 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide

3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide (PubChem CID 66927809) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide
PubChem CID66927809
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(OCCC2CCCN2C)c(-c2ccnn2C)c1
InChIInChI=1S/C22H32N4O2/c1-16(2)14-22(27)24-17-7-8-21(19(15-17)20-9-11-23-26(20)4)28-13-10-18-6-5-12-25(18)3/h7-9,11,15-16,18H,5-6,10,12-14H2,1-4H3,(H,24,27)
InChIKeyDGTMHUXMBKZKEY-UHFFFAOYSA-N
XLogP3.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
CID 66928061
ethyl 1-[2-[4-(3-methylbutanoylamino)-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperidine-4-carboxylate
CID 66927900
N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66928187
1-(4-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]urea
CID 66928082
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]acetamide
CID 68850959
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
(2R)-1-[2-[4-[(3-chloro-4-fluorobenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 66928115
1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
N-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66927836
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,3-oxazepan-3-yl)ethoxy]phenyl]acetamide
CID 69370062
1-(2,4-difluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927855
2-(4-cyanophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 24816340

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide (CID 66927809) is 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(OCCC2CCCN2C)c(-c2ccnn2C)c1.
What is the InChIKey of 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide?
The InChIKey is DGTMHUXMBKZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16(2)14-22(27)24-17-7-8-21(19(15-17)20-9-11-23-26(20)4)28-13-10-18-6-5-12-25(18)3/h7-9,11,15-16,18H,5-6,10,12-14H2,1-4H3,(H,24,27).
What are the key properties of 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide?
3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide has a molecular weight of 384.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide is sourced from PubChem (CID 66927809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).