N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

C17H24N4O — CID 86808417

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H24N4O/c1-14-17(12-19-20-14)11-18-10-15-4-2-3-5-16(15)13-21-6-8-22-9-7-21/h2-5,12,18H,6-11,13H2,1H3,(H,19,20)
InChIKeyNMEFZPNAMGHZJW-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.84
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 86808417) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
PubChem CID86808417
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H24N4O/c1-14-17(12-19-20-14)11-18-10-15-4-2-3-5-16(15)13-21-6-8-22-9-7-21/h2-5,12,18H,6-11,13H2,1H3,(H,19,20)
InChIKeyNMEFZPNAMGHZJW-UHFFFAOYSA-N
XLogP1.84
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (CID 86808417) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is Cc1[nH]ncc1CNCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is NMEFZPNAMGHZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-17(12-19-20-14)11-18-10-15-4-2-3-5-16(15)13-21-6-8-22-9-7-21/h2-5,12,18H,6-11,13H2,1H3,(H,19,20).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 86808417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).