[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone

C19H30N4O3 — CID 99971877

IUPAC[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2
InChIInChI=1S/C19H30N4O3/c1-15(24)17-13-16-14-21(7-8-23(16)20-17)18(25)19(5-3-2-4-6-19)22-9-11-26-12-10-22/h13,15,24H,2-12,14H2,1H3/t15-/m1/s1
InChIKeyXLAMGSLWDHEWAB-OAHLLOKOSA-N
MW362.47 g/mol
LogP1.31
Rot. Bonds3

About [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone

[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone (PubChem CID 99971877) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
PubChem CID99971877
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2
InChIInChI=1S/C19H30N4O3/c1-15(24)17-13-16-14-21(7-8-23(16)20-17)18(25)19(5-3-2-4-6-19)22-9-11-26-12-10-22/h13,15,24H,2-12,14H2,1H3/t15-/m1/s1
InChIKeyXLAMGSLWDHEWAB-OAHLLOKOSA-N
XLogP1.31
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The IUPAC name of [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone (CID 99971877) is [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone.
What is the SMILES notation for [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The canonical SMILES for [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone is C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1(N3CCOCC3)CCCCC1)C2.
What is the InChIKey of [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The InChIKey is XLAMGSLWDHEWAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(24)17-13-16-14-21(7-8-23(16)20-17)18(25)19(5-3-2-4-6-19)22-9-11-26-12-10-22/h13,15,24H,2-12,14H2,1H3/t15-/m1/s1.
What are the key properties of [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone has a molecular weight of 362.47 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-morpholin-4-ylcyclohexyl)methanone is sourced from PubChem (CID 99971877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).