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

C18H26N4O2 — CID 51105060

IUPAC1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCc2cccnc2OC2CCCC2)c(C)nn1C
InChIInChI=1S/C18H26N4O2/c1-13-16(18(23-3)22(2)21-13)12-19-11-14-7-6-10-20-17(14)24-15-8-4-5-9-15/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyCWHZZHSFJNYUJM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.74
Rot. Bonds7

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

1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 51105060) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID51105060
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCc2cccnc2OC2CCCC2)c(C)nn1C
InChIInChI=1S/C18H26N4O2/c1-13-16(18(23-3)22(2)21-13)12-19-11-14-7-6-10-20-17(14)24-15-8-4-5-9-15/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3
InChIKeyCWHZZHSFJNYUJM-UHFFFAOYSA-N
XLogP2.74
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (CID 51105060) is 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is COc1c(CNCc2cccnc2OC2CCCC2)c(C)nn1C.
What is the InChIKey of 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is CWHZZHSFJNYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-16(18(23-3)22(2)21-13)12-19-11-14-7-6-10-20-17(14)24-15-8-4-5-9-15/h6-7,10,15,19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 330.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51105060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).