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

C18H28N4O2 — CID 51105104

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2OC(C)C)c(C(C)C)nn1C
InChIInChI=1S/C18H28N4O2/c1-12(2)16-15(18(23-6)22(5)21-16)11-19-10-14-8-7-9-20-17(14)24-13(3)4/h7-9,12-13,19H,10-11H2,1-6H3
InChIKeyNKFJHINQCMFUTA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.02
Rot. Bonds8

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

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 51105104) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID51105104
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCOc1c(CNCc2cccnc2OC(C)C)c(C(C)C)nn1C
InChIInChI=1S/C18H28N4O2/c1-12(2)16-15(18(23-6)22(5)21-16)11-19-10-14-8-7-9-20-17(14)24-13(3)4/h7-9,12-13,19H,10-11H2,1-6H3
InChIKeyNKFJHINQCMFUTA-UHFFFAOYSA-N
XLogP3.02
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.02
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-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (CID 51105104) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is COc1c(CNCc2cccnc2OC(C)C)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is NKFJHINQCMFUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)16-15(18(23-6)22(5)21-16)11-19-10-14-8-7-9-20-17(14)24-13(3)4/h7-9,12-13,19H,10-11H2,1-6H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 332.45 g/mol, XLogP of 3.02, 8 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-(2-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 51105104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).