N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H22N4O2 — CID 94116708

IUPACN-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13(12-21-7-9-23-10-8-21)18-17(22)16-11-15(19-20-16)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKeyPRQIAJNRPWRBRQ-ZDUSSCGKSA-N
MW314.39 g/mol
LogP1.53
Rot. Bonds5

About N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 94116708) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID94116708
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-13(12-21-7-9-23-10-8-21)18-17(22)16-11-15(19-20-16)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChIKeyPRQIAJNRPWRBRQ-ZDUSSCGKSA-N
XLogP1.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 94116708) is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is PRQIAJNRPWRBRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(12-21-7-9-23-10-8-21)18-17(22)16-11-15(19-20-16)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,18,22)(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 94116708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).