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

C16H21N5O2 — CID 92612749

IUPACN-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-12(21-6-8-23-9-7-21)11-18-16(22)15-10-14(19-20-15)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyVMFLGNDHKSUSFI-LBPRGKRZSA-N
MW315.38 g/mol
LogP0.92
Rot. Bonds5

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

N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 92612749) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID92612749
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-12(21-6-8-23-9-7-21)11-18-16(22)15-10-14(19-20-15)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeyVMFLGNDHKSUSFI-LBPRGKRZSA-N
XLogP0.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylpropyl)-4-pyrimidin-2-yloxybenzamide
CID 46970579
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
3-pyridin-2-yl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 51495354
3-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 46964419
3-pyridin-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]-1H-pyrazole-5-carboxamide
CID 51495353
3-[(4-fluorophenyl)methoxy]-N-(2-morpholin-4-ylpropyl)benzamide
CID 55612328
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821160
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 92612749) is N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is C[C@@H](CNC(=O)c1cc(-c2ccccn2)n[nH]1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is VMFLGNDHKSUSFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(21-6-8-23-9-7-21)11-18-16(22)15-10-14(19-20-15)13-4-2-3-5-17-13/h2-5,10,12H,6-9,11H2,1H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-ylpropyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 92612749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).