(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide

C14H24N4O2 — CID 164633604

IUPAC(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide
SMILESCC[C@@H](C(=O)Nc1c(C)cnn1CC)N1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-4-12(17-6-8-20-9-7-17)14(19)16-13-11(3)10-15-18(13)5-2/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyOXHISCAXWKUVFK-LBPRGKRZSA-N
MW280.37 g/mol
LogP1.26
Rot. Bonds5

About (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide

(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide (PubChem CID 164633604) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide
PubChem CID164633604
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide
SMILESCC[C@@H](C(=O)Nc1c(C)cnn1CC)N1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-4-12(17-6-8-20-9-7-17)14(19)16-13-11(3)10-15-18(13)5-2/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyOXHISCAXWKUVFK-LBPRGKRZSA-N
XLogP1.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide?
The IUPAC name of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide (CID 164633604) is (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide.
What is the SMILES notation for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide?
The canonical SMILES for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide is CC[C@@H](C(=O)Nc1c(C)cnn1CC)N1CCOCC1.
What is the InChIKey of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide?
The InChIKey is OXHISCAXWKUVFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-12(17-6-8-20-9-7-17)14(19)16-13-11(3)10-15-18(13)5-2/h10,12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide?
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide has a molecular weight of 280.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-2-morpholin-4-ylbutanamide is sourced from PubChem (CID 164633604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).