5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide

C19H27N5O2 — CID 134127393

IUPAC5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)N(C)Cc2cnn(C(C)C)c2)NN1
InChIInChI=1S/C19H27N5O2/c1-13(2)24-12-14(10-20-24)11-23(3)19(25)17-9-16(21-22-17)15-7-5-6-8-18(15)26-4/h5-8,10,12-13,16-17,21-22H,9,11H2,1-4H3
InChIKeyBMTQIXFSTLHYDS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.04
Rot. Bonds6

About 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide

5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide (PubChem CID 134127393) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
PubChem CID134127393
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)N(C)Cc2cnn(C(C)C)c2)NN1
InChIInChI=1S/C19H27N5O2/c1-13(2)24-12-14(10-20-24)11-23(3)19(25)17-9-16(21-22-17)15-7-5-6-8-18(15)26-4/h5-8,10,12-13,16-17,21-22H,9,11H2,1-4H3
InChIKeyBMTQIXFSTLHYDS-UHFFFAOYSA-N
XLogP2.04
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 133108255
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
2-chloro-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
CID 167840710
N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
CID 97436407
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 134127389
5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide
CID 134086369
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
CID 78081233

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide (CID 134127393) is 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide is COc1ccccc1C1CC(C(=O)N(C)Cc2cnn(C(C)C)c2)NN1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is BMTQIXFSTLHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)24-12-14(10-20-24)11-23(3)19(25)17-9-16(21-22-17)15-7-5-6-8-18(15)26-4/h5-8,10,12-13,16-17,21-22H,9,11H2,1-4H3.
What are the key properties of 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide?
5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134127393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).