N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C18H31N5O2 — CID 71868654

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C18H31N5O2/c1-15-13-16(2)23(20-15)8-4-6-19-18(24)22-7-3-5-17(22)14-21-9-11-25-12-10-21/h13,17H,3-12,14H2,1-2H3,(H,19,24)
InChIKeyCAKXHVGXKWUSLY-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71868654) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71868654
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C18H31N5O2/c1-15-13-16(2)23(20-15)8-4-6-19-18(24)22-7-3-5-17(22)14-21-9-11-25-12-10-21/h13,17H,3-12,14H2,1-2H3,(H,19,24)
InChIKeyCAKXHVGXKWUSLY-UHFFFAOYSA-N
XLogP1.40
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111026987
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111026986
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868474
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71867957
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111280344
3-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66262558
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 71868654) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CCCC2CN2CCOCC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is CAKXHVGXKWUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15-13-16(2)23(20-15)8-4-6-19-18(24)22-7-3-5-17(22)14-21-9-11-25-12-10-21/h13,17H,3-12,14H2,1-2H3,(H,19,24).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).