1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H23N5O2 — CID 94025927

IUPAC1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C16H23N5O2/c1-13(12-20-7-9-23-10-8-20)18-15(22)14-11-17-19(2)16(14)21-5-3-4-6-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyYPEVIEPLTOBFEE-CYBMUJFWSA-N
MW317.39 g/mol
LogP0.66
Rot. Bonds5

About 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 94025927) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID94025927
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C16H23N5O2/c1-13(12-20-7-9-23-10-8-20)18-15(22)14-11-17-19(2)16(14)21-5-3-4-6-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyYPEVIEPLTOBFEE-CYBMUJFWSA-N
XLogP0.66
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917727
N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78844305
4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
CID 94025961
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
1-ethyl-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 4772972
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 94025927) is 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide is C[C@H](CN1CCOCC1)NC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YPEVIEPLTOBFEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13(12-20-7-9-23-10-8-20)18-15(22)14-11-17-19(2)16(14)21-5-3-4-6-21/h3-6,11,13H,7-10,12H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 94025927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).