N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine

C20H23N5O — CID 75388335

IUPACN-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESCc1nn(-c2ccccc2)cc1CNc1cccnc1N1CCOCC1
InChIInChI=1S/C20H23N5O/c1-16-17(15-25(23-16)18-6-3-2-4-7-18)14-22-19-8-5-9-21-20(19)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3
InChIKeyDMMQIAUOTIFNNC-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine

N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine (PubChem CID 75388335) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
PubChem CID75388335
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine
SMILESCc1nn(-c2ccccc2)cc1CNc1cccnc1N1CCOCC1
InChIInChI=1S/C20H23N5O/c1-16-17(15-25(23-16)18-6-3-2-4-7-18)14-22-19-8-5-9-21-20(19)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3
InChIKeyDMMQIAUOTIFNNC-UHFFFAOYSA-N
XLogP3.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine (CID 75388335) is N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine is Cc1nn(-c2ccccc2)cc1CNc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
The InChIKey is DMMQIAUOTIFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-17(15-25(23-16)18-6-3-2-4-7-18)14-22-19-8-5-9-21-20(19)24-10-12-26-13-11-24/h2-9,15,22H,10-14H2,1H3.
What are the key properties of N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine?
N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 75388335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).