N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide

C17H23N5O2 — CID 134127389

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCc2cc(C)nn2C)NN1
InChIInChI=1S/C17H23N5O2/c1-11-8-12(22(2)21-11)10-18-17(23)15-9-14(19-20-15)13-6-4-5-7-16(13)24-3/h4-8,14-15,19-20H,9-10H2,1-3H3,(H,18,23)
InChIKeySNCYPMUUMQPXLN-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.96
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 134127389) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID134127389
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccccc1C1CC(C(=O)NCc2cc(C)nn2C)NN1
InChIInChI=1S/C17H23N5O2/c1-11-8-12(22(2)21-11)10-18-17(23)15-9-14(19-20-15)13-6-4-5-7-16(13)24-3/h4-8,14-15,19-20H,9-10H2,1-3H3,(H,18,23)
InChIKeySNCYPMUUMQPXLN-UHFFFAOYSA-N
XLogP0.96
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 78154777
N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75262074
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75255278
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 133108597
5-(2-methoxyphenyl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pyrazolidine-3-carboxamide
CID 134086369
cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 74241443
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide (CID 134127389) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide is COc1ccccc1C1CC(C(=O)NCc2cc(C)nn2C)NN1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is SNCYPMUUMQPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-8-12(22(2)21-11)10-18-17(23)15-9-14(19-20-15)13-6-4-5-7-16(13)24-3/h4-8,14-15,19-20H,9-10H2,1-3H3,(H,18,23).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134127389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).