2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C21H31N5O2 — CID 37489828

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H31N5O2/c1-15(2)14-26-17(4)19(16(3)24-26)12-20(27)23-13-18-6-5-7-22-21(18)25-8-10-28-11-9-25/h5-7,15H,8-14H2,1-4H3,(H,23,27)
InChIKeyXSBLPMWZGSDCHS-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.25
Rot. Bonds7

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 37489828) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID37489828
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C21H31N5O2/c1-15(2)14-26-17(4)19(16(3)24-26)12-20(27)23-13-18-6-5-7-22-21(18)25-8-10-28-11-9-25/h5-7,15H,8-14H2,1-4H3,(H,23,27)
InChIKeyXSBLPMWZGSDCHS-UHFFFAOYSA-N
XLogP2.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31592780
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
6-chloro-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56749997
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 37489828) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is XSBLPMWZGSDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15(2)14-26-17(4)19(16(3)24-26)12-20(27)23-13-18-6-5-7-22-21(18)25-8-10-28-11-9-25/h5-7,15H,8-14H2,1-4H3,(H,23,27).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 37489828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).