N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C20H26N4O — CID 91786408

IUPACN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23(13-19-17-8-5-9-18(17)21-22-19)20(25)14-24-11-10-16(12-24)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,21,22)
InChIKeyINVKPZQCRNHGCD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 91786408) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID91786408
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C20H26N4O/c1-23(13-19-17-8-5-9-18(17)21-22-19)20(25)14-24-11-10-16(12-24)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,21,22)
InChIKeyINVKPZQCRNHGCD-UHFFFAOYSA-N
XLogP2.35
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91764997
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CID 97283111
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91836006
2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91843020
4-(azepan-1-ylmethyl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)benzamide
CID 135090165
N-methyl-2-(3-piperidin-3-ylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide;hydrochloride
CID 154903804
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91760765
1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
CID 72921377
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97113287
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97113286
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 91786408) is N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCC2)C(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is INVKPZQCRNHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(13-19-17-8-5-9-18(17)21-22-19)20(25)14-24-11-10-16(12-24)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,21,22).
What are the key properties of N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 91786408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).