[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone

C17H19N5O2 — CID 75470392

IUPAC[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H19N5O2/c1-10-15(11(2)19-18-10)14-9-24-8-7-22(14)17(23)16-12-5-3-4-6-13(12)20-21-16/h3-6,14H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLQFSUBOXNAPTCE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.12
Rot. Bonds2

About [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone

[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone (PubChem CID 75470392) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
PubChem CID75470392
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H19N5O2/c1-10-15(11(2)19-18-10)14-9-24-8-7-22(14)17(23)16-12-5-3-4-6-13(12)20-21-16/h3-6,14H,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLQFSUBOXNAPTCE-UHFFFAOYSA-N
XLogP2.12
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone (CID 75470392) is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone is Cc1n[nH]c(C)c1C1COCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is LQFSUBOXNAPTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-15(11(2)19-18-10)14-9-24-8-7-22(14)17(23)16-12-5-3-4-6-13(12)20-21-16/h3-6,14H,7-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone?
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 75470392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).