(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

C19H35N5O — CID 124614801

IUPAC(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCCc1nn(C)cc1CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C19H35N5O/c1-5-19-17(12-21(4)20-19)13-22-6-8-23(9-7-22)14-18-15-24(16(2)3)10-11-25-18/h12,16,18H,5-11,13-15H2,1-4H3/t18-/m0/s1
InChIKeyLWVIGYULYZVRIP-SFHVURJKSA-N
MW349.52 g/mol
LogP1.21
Rot. Bonds6

About (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 124614801) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID124614801
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCCc1nn(C)cc1CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1
InChIInChI=1S/C19H35N5O/c1-5-19-17(12-21(4)20-19)13-22-6-8-23(9-7-22)14-18-15-24(16(2)3)10-11-25-18/h12,16,18H,5-11,13-15H2,1-4H3/t18-/m0/s1
InChIKeyLWVIGYULYZVRIP-SFHVURJKSA-N
XLogP1.21
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 124614801) is (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is CCc1nn(C)cc1CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1.
What is the InChIKey of (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is LWVIGYULYZVRIP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35N5O/c1-5-19-17(12-21(4)20-19)13-22-6-8-23(9-7-22)14-18-15-24(16(2)3)10-11-25-18/h12,16,18H,5-11,13-15H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
(2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 349.52 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 124614801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).