(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C15H18N4OS — CID 56779317

IUPAC(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(C2CC2)n1)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H18N4OS/c20-15(13-10-21-14(17-13)11-4-5-11)19-8-1-3-12(19)9-18-7-2-6-16-18/h2,6-7,10-12H,1,3-5,8-9H2
InChIKeyLRASMNRHNKRLPC-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.52
Rot. Bonds4

About (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56779317) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56779317
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1csc(C2CC2)n1)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H18N4OS/c20-15(13-10-21-14(17-13)11-4-5-11)19-8-1-3-12(19)9-18-7-2-6-16-18/h2,6-7,10-12H,1,3-5,8-9H2
InChIKeyLRASMNRHNKRLPC-UHFFFAOYSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56779317) is (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1csc(C2CC2)n1)N1CCCC1Cn1cccn1.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LRASMNRHNKRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-15(13-10-21-14(17-13)11-4-5-11)19-8-1-3-12(19)9-18-7-2-6-16-18/h2,6-7,10-12H,1,3-5,8-9H2.
What are the key properties of (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).