3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine

C20H22N4O — CID 2322230

IUPAC3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O/c21-20-19(16-7-3-1-4-8-16)18(15-23-11-13-25-14-12-23)22-24(20)17-9-5-2-6-10-17/h1-10H,11-15,21H2
InChIKeyFZNMQBCUXKKLTO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.95
Rot. Bonds4

About 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine

3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine (PubChem CID 2322230) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine
PubChem CID2322230
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccccc1
InChIInChI=1S/C20H22N4O/c21-20-19(16-7-3-1-4-8-16)18(15-23-11-13-25-14-12-23)22-24(20)17-9-5-2-6-10-17/h1-10H,11-15,21H2
InChIKeyFZNMQBCUXKKLTO-UHFFFAOYSA-N
XLogP2.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine (CID 2322230) is 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine is Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccccc1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine?
The InChIKey is FZNMQBCUXKKLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20-19(16-7-3-1-4-8-16)18(15-23-11-13-25-14-12-23)22-24(20)17-9-5-2-6-10-17/h1-10H,11-15,21H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine?
3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine has a molecular weight of 334.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1,4-diphenylpyrazol-5-amine is sourced from PubChem (CID 2322230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).