[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

C19H21N5O2 — CID 110236176

IUPAC[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2nn(C)cc2-c2cc(C)no2)cn1
InChIInChI=1S/C19H21N5O2/c1-12-6-7-14(10-20-12)19(25)24-8-4-5-16(24)18-15(11-23(3)21-18)17-9-13(2)22-26-17/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyRSJXWCKGAZUAEL-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.06
Rot. Bonds3

About [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone

[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 110236176) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID110236176
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC2c2nn(C)cc2-c2cc(C)no2)cn1
InChIInChI=1S/C19H21N5O2/c1-12-6-7-14(10-20-12)19(25)24-8-4-5-16(24)18-15(11-23(3)21-18)17-9-13(2)22-26-17/h6-7,9-11,16H,4-5,8H2,1-3H3
InChIKeyRSJXWCKGAZUAEL-UHFFFAOYSA-N
XLogP3.06
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 110236176) is [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCC2c2nn(C)cc2-c2cc(C)no2)cn1.
What is the InChIKey of [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is RSJXWCKGAZUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-6-7-14(10-20-12)19(25)24-8-4-5-16(24)18-15(11-23(3)21-18)17-9-13(2)22-26-17/h6-7,9-11,16H,4-5,8H2,1-3H3.
What are the key properties of [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 351.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 110236176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).