N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine

C16H22ClN5O — CID 38051058

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCc1nn(C)c(Cl)c1CNCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H22ClN5O/c1-12-14(15(17)21(2)20-12)11-18-10-13-4-3-5-19-16(13)22-6-8-23-9-7-22/h3-5,18H,6-11H2,1-2H3
InChIKeyUXFHEHGTCGDVFR-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.90
Rot. Bonds5

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (PubChem CID 38051058) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
PubChem CID38051058
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
SMILESCc1nn(C)c(Cl)c1CNCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H22ClN5O/c1-12-14(15(17)21(2)20-12)11-18-10-13-4-3-5-19-16(13)22-6-8-23-9-7-22/h3-5,18H,6-11H2,1-2H3
InChIKeyUXFHEHGTCGDVFR-UHFFFAOYSA-N
XLogP1.90
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine (CID 38051058) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is Cc1nn(C)c(Cl)c1CNCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
The InChIKey is UXFHEHGTCGDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-12-14(15(17)21(2)20-12)11-18-10-13-4-3-5-19-16(13)22-6-8-23-9-7-22/h3-5,18H,6-11H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine has a molecular weight of 335.84 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 38051058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).