(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone

C21H24FN5O2 — CID 97343134

IUPAC(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
SMILESCc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C21H24FN5O2/c1-13-11-17(24-25(13)4)21(28)26-9-10-29-12-19(26)20-14(2)23-27(15(20)3)18-8-6-5-7-16(18)22/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1
InChIKeyIQQUJWQBSDQWAB-IBGZPJMESA-N
MW397.45 g/mol
LogP2.88
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone (PubChem CID 97343134) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
PubChem CID97343134
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
SMILESCc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C21H24FN5O2/c1-13-11-17(24-25(13)4)21(28)26-9-10-29-12-19(26)20-14(2)23-27(15(20)3)18-8-6-5-7-16(18)22/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1
InChIKeyIQQUJWQBSDQWAB-IBGZPJMESA-N
XLogP2.88
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone (CID 97343134) is (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone is Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1cc(C)n(C)n1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The InChIKey is IQQUJWQBSDQWAB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13-11-17(24-25(13)4)21(28)26-9-10-29-12-19(26)20-14(2)23-27(15(20)3)18-8-6-5-7-16(18)22/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone has a molecular weight of 397.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97343134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).