(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone

C18H22N4O3S — CID 45182980

IUPAC(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C18H22N4O3S/c1-20-14(6-7-19-20)17(23)22-8-2-3-13(22)15-4-5-16(26-15)18(24)21-9-11-25-12-10-21/h4-7,13H,2-3,8-12H2,1H3
InChIKeyHNBSMSUKIFGVHX-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.93
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 45182980) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
PubChem CID45182980
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1
InChIInChI=1S/C18H22N4O3S/c1-20-14(6-7-19-20)17(23)22-8-2-3-13(22)15-4-5-16(26-15)18(24)21-9-11-25-12-10-21/h4-7,13H,2-3,8-12H2,1H3
InChIKeyHNBSMSUKIFGVHX-UHFFFAOYSA-N
XLogP1.93
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone 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 (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone (CID 45182980) is (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC1c1ccc(C(=O)N2CCOCC2)s1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is HNBSMSUKIFGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20-14(6-7-19-20)17(23)22-8-2-3-13(22)15-4-5-16(26-15)18(24)21-9-11-25-12-10-21/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 374.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45182980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).