1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C15H20N4O — CID 166187417

IUPAC1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1cc(OC2CCCC2)ncc1CNCc1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-2-4-14(3-1)20-15-6-5-12(9-17-15)7-16-8-13-10-18-19-11-13/h5-6,9-11,14,16H,1-4,7-8H2,(H,18,19)
InChIKeyLKSQBOQGJXPSEJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds6

About 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 166187417) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID166187417
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1cc(OC2CCCC2)ncc1CNCc1cn[nH]c1
InChIInChI=1S/C15H20N4O/c1-2-4-14(3-1)20-15-6-5-12(9-17-15)7-16-8-13-10-18-19-11-13/h5-6,9-11,14,16H,1-4,7-8H2,(H,18,19)
InChIKeyLKSQBOQGJXPSEJ-UHFFFAOYSA-N
XLogP2.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
3-[[(6-cyclopentyloxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030447
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905287
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318360
CID 51136058
CID 51136058
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-pyrazin-2-ylethanamine
CID 75427846
1-piperidin-2-yl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 106633696
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607886

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 166187417) is 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is c1cc(OC2CCCC2)ncc1CNCc1cn[nH]c1.
What is the InChIKey of 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is LKSQBOQGJXPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-4-14(3-1)20-15-6-5-12(9-17-15)7-16-8-13-10-18-19-11-13/h5-6,9-11,14,16H,1-4,7-8H2,(H,18,19).
What are the key properties of 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 166187417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).