(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide

C18H31N5O2 — CID 129446030

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCOC[C@H]1C
InChIInChI=1S/C18H31N5O2/c1-12(22-8-9-25-11-13(22)2)10-19-18(24)23-7-5-6-16(23)17-14(3)20-21-15(17)4/h12-13,16H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13+,16-/m0/s1
InChIKeyIWJLATUJWOCIEL-ZENOOKHLSA-N
MW349.48 g/mol
LogP1.98
Rot. Bonds4

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide (PubChem CID 129446030) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide
PubChem CID129446030
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCOC[C@H]1C
InChIInChI=1S/C18H31N5O2/c1-12(22-8-9-25-11-13(22)2)10-19-18(24)23-7-5-6-16(23)17-14(3)20-21-15(17)4/h12-13,16H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13+,16-/m0/s1
InChIKeyIWJLATUJWOCIEL-ZENOOKHLSA-N
XLogP1.98
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide (CID 129446030) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)N1CCOC[C@H]1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide?
The InChIKey is IWJLATUJWOCIEL-ZENOOKHLSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(22-8-9-25-11-13(22)2)10-19-18(24)23-7-5-6-16(23)17-14(3)20-21-15(17)4/h12-13,16H,5-11H2,1-4H3,(H,19,24)(H,20,21)/t12-,13+,16-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129446030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).