N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C17H26N6O2 — CID 136534539

IUPACN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CN3CCOCC3)C2)nn1CCC#N
InChIInChI=1S/C17H26N6O2/c1-14-11-16(20-23(14)5-2-4-18)19-17(24)22-6-3-15(13-22)12-21-7-9-25-10-8-21/h11,15H,2-3,5-10,12-13H2,1H3,(H,19,20,24)
InChIKeyURVIRXNKHYKMAW-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136534539) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136534539
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CN3CCOCC3)C2)nn1CCC#N
InChIInChI=1S/C17H26N6O2/c1-14-11-16(20-23(14)5-2-4-18)19-17(24)22-6-3-15(13-22)12-21-7-9-25-10-8-21/h11,15H,2-3,5-10,12-13H2,1H3,(H,19,20,24)
InChIKeyURVIRXNKHYKMAW-UHFFFAOYSA-N
XLogP1.29
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 136534539) is N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(CN3CCOCC3)C2)nn1CCC#N.
What is the InChIKey of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is URVIRXNKHYKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-14-11-16(20-23(14)5-2-4-18)19-17(24)22-6-3-15(13-22)12-21-7-9-25-10-8-21/h11,15H,2-3,5-10,12-13H2,1H3,(H,19,20,24).
What are the key properties of N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136534539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).