N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine

C19H28N4O2 — CID 51105458

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccccc1N1CCC(CNCc2c(C)nn(C)c2OC)C1
InChIInChI=1S/C19H28N4O2/c1-14-16(19(25-4)22(2)21-14)12-20-11-15-9-10-23(13-15)17-7-5-6-8-18(17)24-3/h5-8,15,20H,9-13H2,1-4H3
InChIKeyNUBZCIDPUKUXGZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.36
Rot. Bonds7

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 51105458) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID51105458
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine
SMILESCOc1ccccc1N1CCC(CNCc2c(C)nn(C)c2OC)C1
InChIInChI=1S/C19H28N4O2/c1-14-16(19(25-4)22(2)21-14)12-20-11-15-9-10-23(13-15)17-7-5-6-8-18(17)24-3/h5-8,15,20H,9-13H2,1-4H3
InChIKeyNUBZCIDPUKUXGZ-UHFFFAOYSA-N
XLogP2.36
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine (CID 51105458) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine is COc1ccccc1N1CCC(CNCc2c(C)nn(C)c2OC)C1.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is NUBZCIDPUKUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-16(19(25-4)22(2)21-14)12-20-11-15-9-10-23(13-15)17-7-5-6-8-18(17)24-3/h5-8,15,20H,9-13H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 344.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 51105458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).