(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine

C17H25N5O — CID 94825212

IUPAC(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccnc1
InChIInChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3/t13-/m0/s1
InChIKeyQESMRODKFMKECY-ZDUSSCGKSA-N
MW315.42 g/mol
LogP1.81
Rot. Bonds5

About (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 94825212) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID94825212
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccnc1
InChIInChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3/t13-/m0/s1
InChIKeyQESMRODKFMKECY-ZDUSSCGKSA-N
XLogP1.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine with MolForge

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Related Compounds

(2R)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-2-phenylacetamide
CID 95138985
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
CID 86887647
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467
1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 86884827
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129000
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
(1R)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 124516341
(1S)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol
CID 95138920
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 126810967
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine (CID 94825212) is (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine is Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccnc1.
What is the InChIKey of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is QESMRODKFMKECY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(15-5-4-6-18-11-15)19-12-16-14(2)20-21(3)17(16)22-7-9-23-10-8-22/h4-6,11,13,19H,7-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 315.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 94825212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).