3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide

C17H26N6O2 — CID 136584967

IUPAC3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)n(C)n1
InChIInChI=1S/C17H26N6O2/c1-5-13-8-14(23(4)20-13)17(24)18-10-15-16(21(2)6-7-25-15)12-9-19-22(3)11-12/h8-9,11,15-16H,5-7,10H2,1-4H3,(H,18,24)/t15-,16-/m0/s1
InChIKeyVTQZGHWWEAFGGU-HOTGVXAUSA-N
MW346.44 g/mol
LogP0.52
Rot. Bonds5

About 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide

3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 136584967) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide
PubChem CID136584967
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)n(C)n1
InChIInChI=1S/C17H26N6O2/c1-5-13-8-14(23(4)20-13)17(24)18-10-15-16(21(2)6-7-25-15)12-9-19-22(3)11-12/h8-9,11,15-16H,5-7,10H2,1-4H3,(H,18,24)/t15-,16-/m0/s1
InChIKeyVTQZGHWWEAFGGU-HOTGVXAUSA-N
XLogP0.52
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
5-methyl-N-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-2-[methyl(propan-2-yl)amino]benzamide
CID 164635739
4-fluoro-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 136584058
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
(1S,5S)-4,6,6-trimethyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]bicyclo[3.1.1]hept-3-en-2-amine
CID 167992870
N-[(2-bromocyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 113275160
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023801
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide (CID 136584967) is 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2cnn(C)c2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is VTQZGHWWEAFGGU-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-13-8-14(23(4)20-13)17(24)18-10-15-16(21(2)6-7-25-15)12-9-19-22(3)11-12/h8-9,11,15-16H,5-7,10H2,1-4H3,(H,18,24)/t15-,16-/m0/s1.
What are the key properties of 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide?
3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 136584967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).