2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H26N4O — CID 126831975

IUPAC2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1nccc1CC(=O)NC1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C20H26N4O/c1-23-16(10-11-21-23)14-19(25)22-20-17-7-3-2-6-15(17)8-9-18(20)24-12-4-5-13-24/h2-3,6-7,10-11,18,20H,4-5,8-9,12-14H2,1H3,(H,22,25)
InChIKeyJBIHXXGFDLZVIC-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 126831975) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID126831975
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1nccc1CC(=O)NC1c2ccccc2CCC1N1CCCC1
InChIInChI=1S/C20H26N4O/c1-23-16(10-11-21-23)14-19(25)22-20-17-7-3-2-6-15(17)8-9-18(20)24-12-4-5-13-24/h2-3,6-7,10-11,18,20H,4-5,8-9,12-14H2,1H3,(H,22,25)
InChIKeyJBIHXXGFDLZVIC-UHFFFAOYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
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CID 97311343
N-methyl-2-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 134337246
N-[(1R,2R)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97006459
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 136587064
N-[(1S,2S)-2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-3,5-dimethylfuran-2-carboxamide
CID 97051236
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
N-methyl-2-naphthalen-1-yl-N-[(5S,6S)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide
CID 54362115
(1R,2R)-1-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 14476580

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 126831975) is 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cn1nccc1CC(=O)NC1c2ccccc2CCC1N1CCCC1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is JBIHXXGFDLZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-16(10-11-21-23)14-19(25)22-20-17-7-3-2-6-15(17)8-9-18(20)24-12-4-5-13-24/h2-3,6-7,10-11,18,20H,4-5,8-9,12-14H2,1H3,(H,22,25).
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 126831975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).