(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide

C16H20N4O2 — CID 95158456

IUPAC(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1
InChIInChI=1S/C16H20N4O2/c1-12-11-20(8-9-22-12)16(21)17-10-13-2-4-14(5-3-13)15-6-7-18-19-15/h2-7,12H,8-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyCZXXDOHWOAINFB-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds3

About (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide

(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 95158456) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID95158456
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1
InChIInChI=1S/C16H20N4O2/c1-12-11-20(8-9-22-12)16(21)17-10-13-2-4-14(5-3-13)15-6-7-18-19-15/h2-7,12H,8-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyCZXXDOHWOAINFB-LBPRGKRZSA-N
XLogP2.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2R)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-4-carboxamide
CID 94031304
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874
4-ethyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-2-carboxamide
CID 71984592
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 114826301
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126792520
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 47253703
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119064727
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide (CID 95158456) is (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1.
What is the InChIKey of (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is CZXXDOHWOAINFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-20(8-9-22-12)16(21)17-10-13-2-4-14(5-3-13)15-6-7-18-19-15/h2-7,12H,8-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide?
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95158456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).