2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C23H34N4O — CID 31592780

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H34N4O/c1-17(2)15-27-19(4)22(18(3)25-27)13-23(28)24-14-20-7-9-21(10-8-20)16-26-11-5-6-12-26/h7-10,17H,5-6,11-16H2,1-4H3,(H,24,28)
InChIKeyKTMYBFZXVPWPOT-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.61
Rot. Bonds8

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 31592780) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID31592780
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H34N4O/c1-17(2)15-27-19(4)22(18(3)25-27)13-23(28)24-14-20-7-9-21(10-8-20)16-26-11-5-6-12-26/h7-10,17H,5-6,11-16H2,1-4H3,(H,24,28)
InChIKeyKTMYBFZXVPWPOT-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 37489828
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464025
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445392
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978444
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358059
methyl N-[4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]carbamate
CID 55732390
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34993291
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
N-[2-(2,4-dichlorophenyl)ethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9082946
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35277586
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 31592780) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is KTMYBFZXVPWPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(2)15-27-19(4)22(18(3)25-27)13-23(28)24-14-20-7-9-21(10-8-20)16-26-11-5-6-12-26/h7-10,17H,5-6,11-16H2,1-4H3,(H,24,28).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 31592780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).