2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide

C18H25N5O — CID 125006228

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCc1cccc(N2CCC[C@@H]2CNC(=O)Cc2c(C)n[nH]c2C)n1
InChIInChI=1S/C18H25N5O/c1-12-6-4-8-17(20-12)23-9-5-7-15(23)11-19-18(24)10-16-13(2)21-22-14(16)3/h4,6,8,15H,5,7,9-11H2,1-3H3,(H,19,24)(H,21,22)/t15-/m1/s1
InChIKeyUERPQQYSENLYGS-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.06
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 125006228) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID125006228
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCc1cccc(N2CCC[C@@H]2CNC(=O)Cc2c(C)n[nH]c2C)n1
InChIInChI=1S/C18H25N5O/c1-12-6-4-8-17(20-12)23-9-5-7-15(23)11-19-18(24)10-16-13(2)21-22-14(16)3/h4,6,8,15H,5,7,9-11H2,1-3H3,(H,19,24)(H,21,22)/t15-/m1/s1
InChIKeyUERPQQYSENLYGS-OAHLLOKOSA-N
XLogP2.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124998129
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66006897
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
2-(4-aminophenyl)-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]acetamide
CID 119890443
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
7-amino-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]heptanamide
CID 119890433
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414647
N-[[6-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107823
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide (CID 125006228) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide is Cc1cccc(N2CCC[C@@H]2CNC(=O)Cc2c(C)n[nH]c2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is UERPQQYSENLYGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-6-4-8-17(20-12)23-9-5-7-15(23)11-19-18(24)10-16-13(2)21-22-14(16)3/h4,6,8,15H,5,7,9-11H2,1-3H3,(H,19,24)(H,21,22)/t15-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2R)-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 125006228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).