(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C16H23N5O — CID 95145763

IUPAC(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H](CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-13(21-5-7-22-8-6-21)9-18-11-15-12-19-20-16(15)14-3-2-4-17-10-14/h2-4,10,12-13,18H,5-9,11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyGVSFTOFTPBPUTF-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.28
Rot. Bonds6

About (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 95145763) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID95145763
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@@H](CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-13(21-5-7-22-8-6-21)9-18-11-15-12-19-20-16(15)14-3-2-4-17-10-14/h2-4,10,12-13,18H,5-9,11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyGVSFTOFTPBPUTF-ZDUSSCGKSA-N
XLogP1.28
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine with MolForge

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Related Compounds

4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
(2R)-2-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 95148273
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 86808090
(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95136759
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
2-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 78894839
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 95139082
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 95145763) is (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is C[C@@H](CNCc1cn[nH]c1-c1cccnc1)N1CCOCC1.
What is the InChIKey of (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is GVSFTOFTPBPUTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(21-5-7-22-8-6-21)9-18-11-15-12-19-20-16(15)14-3-2-4-17-10-14/h2-4,10,12-13,18H,5-9,11H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 301.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 95145763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).