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

C19H21N5O2 — CID 75473685

IUPAC[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-18(14(2)24(22-13)15-6-4-3-5-7-15)17-12-26-11-10-23(17)19(25)16-8-9-20-21-16/h3-9,17H,10-12H2,1-2H3,(H,20,21)
InChIKeyDHQBQKRYFLUOPC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.43
Rot. Bonds3

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

[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 75473685) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID75473685
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)c1ccn[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-18(14(2)24(22-13)15-6-4-3-5-7-15)17-12-26-11-10-23(17)19(25)16-8-9-20-21-16/h3-9,17H,10-12H2,1-2H3,(H,20,21)
InChIKeyDHQBQKRYFLUOPC-UHFFFAOYSA-N
XLogP2.43
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone (CID 75473685) is [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)c1ccn[nH]1.
What is the InChIKey of [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is DHQBQKRYFLUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-18(14(2)24(22-13)15-6-4-3-5-7-15)17-12-26-11-10-23(17)19(25)16-8-9-20-21-16/h3-9,17H,10-12H2,1-2H3,(H,20,21).
What are the key properties of [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone?
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 75473685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).