N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide

C19H27N5O2 — CID 75260592

IUPACN-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1C1CC(C(=O)N(C)CCOc2ccccc2)NN1
InChIInChI=1S/C19H27N5O2/c1-13-18(14(2)24(4)22-13)16-12-17(21-20-16)19(25)23(3)10-11-26-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-12H2,1-4H3
InChIKeyKDGMJXFGSGEPPO-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.48
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide

N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide (PubChem CID 75260592) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide
PubChem CID75260592
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1C1CC(C(=O)N(C)CCOc2ccccc2)NN1
InChIInChI=1S/C19H27N5O2/c1-13-18(14(2)24(4)22-13)16-12-17(21-20-16)19(25)23(3)10-11-26-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-12H2,1-4H3
InChIKeyKDGMJXFGSGEPPO-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide (CID 75260592) is N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide is Cc1nn(C)c(C)c1C1CC(C(=O)N(C)CCOc2ccccc2)NN1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide?
The InChIKey is KDGMJXFGSGEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13-18(14(2)24(4)22-13)16-12-17(21-20-16)19(25)23(3)10-11-26-15-8-6-5-7-9-15/h5-9,16-17,20-21H,10-12H2,1-4H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide?
N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75260592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).