(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

C13H17N5O2 — CID 124962888

IUPAC(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCn1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cn1
InChIInChI=1S/C13H17N5O2/c1-2-17-8-10(7-15-17)13(19)18-5-6-20-9-12(18)11-3-4-14-16-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyHMFRKYKDFLBGRL-LBPRGKRZSA-N
MW275.31 g/mol
LogP0.84
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 124962888) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID124962888
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCCn1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cn1
InChIInChI=1S/C13H17N5O2/c1-2-17-8-10(7-15-17)13(19)18-5-6-20-9-12(18)11-3-4-14-16-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyHMFRKYKDFLBGRL-LBPRGKRZSA-N
XLogP0.84
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 124962888) is (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is CCn1cc(C(=O)N2CCOC[C@H]2c2ccn[nH]2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is HMFRKYKDFLBGRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-17-8-10(7-15-17)13(19)18-5-6-20-9-12(18)11-3-4-14-16-11/h3-4,7-8,12H,2,5-6,9H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).