1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide

C14H22N4O3 — CID 164637756

IUPAC1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)CN1C[C@H](CNC(=O)c2cnn(C)c2)OCC1=O
InChIInChI=1S/C14H22N4O3/c1-10(2)6-18-8-12(21-9-13(18)19)5-15-14(20)11-4-16-17(3)7-11/h4,7,10,12H,5-6,8-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyPSPQVDZDYSNHSS-LBPRGKRZSA-N
MW294.35 g/mol
LogP0.03
Rot. Bonds5

About 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 164637756) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID164637756
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)CN1C[C@H](CNC(=O)c2cnn(C)c2)OCC1=O
InChIInChI=1S/C14H22N4O3/c1-10(2)6-18-8-12(21-9-13(18)19)5-15-14(20)11-4-16-17(3)7-11/h4,7,10,12H,5-6,8-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyPSPQVDZDYSNHSS-LBPRGKRZSA-N
XLogP0.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide (CID 164637756) is 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide is CC(C)CN1C[C@H](CNC(=O)c2cnn(C)c2)OCC1=O.
What is the InChIKey of 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is PSPQVDZDYSNHSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)6-18-8-12(21-9-13(18)19)5-15-14(20)11-4-16-17(3)7-11/h4,7,10,12H,5-6,8-9H2,1-3H3,(H,15,20)/t12-/m0/s1.
What are the key properties of 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 164637756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).