N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine

C18H23N5O — CID 51105192

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1c(CNCc2cccc(Cn3cccn3)c2)c(C)nn1C
InChIInChI=1S/C18H23N5O/c1-14-17(18(24-3)22(2)21-14)12-19-11-15-6-4-7-16(10-15)13-23-9-5-8-20-23/h4-10,19H,11-13H2,1-3H3
InChIKeyVFPVWBQHGIFBBV-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.27
Rot. Bonds7

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 51105192) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID51105192
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCOc1c(CNCc2cccc(Cn3cccn3)c2)c(C)nn1C
InChIInChI=1S/C18H23N5O/c1-14-17(18(24-3)22(2)21-14)12-19-11-15-6-4-7-16(10-15)13-23-9-5-8-20-23/h4-10,19H,11-13H2,1-3H3
InChIKeyVFPVWBQHGIFBBV-UHFFFAOYSA-N
XLogP2.27
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 51131337
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 119111289
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702817
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 115600780
N,N,1,3-tetramethyl-4-[[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51104874
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105302
2-[3,5-dimethyl-4-[[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-1-yl]ethanol;hydrochloride
CID 47615212

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 51105192) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine is COc1c(CNCc2cccc(Cn3cccn3)c2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is VFPVWBQHGIFBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-17(18(24-3)22(2)21-14)12-19-11-15-6-4-7-16(10-15)13-23-9-5-8-20-23/h4-10,19H,11-13H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 325.42 g/mol, XLogP of 2.27, 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-[3-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 51105192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).