N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C14H23N5O — CID 51105243

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1c(CNCc2cnn(C)c2)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)8-15-6-11-7-16-18(3)9-11/h7,9-10,15H,6,8H2,1-5H3
InChIKeyCQPCHEBNXCHJED-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds6

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 51105243) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID51105243
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCOc1c(CNCc2cnn(C)c2)c(C(C)C)nn1C
InChIInChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)8-15-6-11-7-16-18(3)9-11/h7,9-10,15H,6,8H2,1-5H3
InChIKeyCQPCHEBNXCHJED-UHFFFAOYSA-N
XLogP1.58
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
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-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 51105243) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is COc1c(CNCc2cnn(C)c2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is CQPCHEBNXCHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)13-12(14(20-5)19(4)17-13)8-15-6-11-7-16-18(3)9-11/h7,9-10,15H,6,8H2,1-5H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 51105243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).