3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine

C16H22N4O — CID 170778324

IUPAC3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine
SMILESCOc1ccc(-c2cnn(C3CC(CCCN)C3)c2)nc1
InChIInChI=1S/C16H22N4O/c1-21-15-4-5-16(18-10-15)13-9-19-20(11-13)14-7-12(8-14)3-2-6-17/h4-5,9-12,14H,2-3,6-8,17H2,1H3
InChIKeyMRECPMYLOLPDHR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.64
Rot. Bonds6

About 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine

3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine (PubChem CID 170778324) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine
PubChem CID170778324
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine
SMILESCOc1ccc(-c2cnn(C3CC(CCCN)C3)c2)nc1
InChIInChI=1S/C16H22N4O/c1-21-15-4-5-16(18-10-15)13-9-19-20(11-13)14-7-12(8-14)3-2-6-17/h4-5,9-12,14H,2-3,6-8,17H2,1H3
InChIKeyMRECPMYLOLPDHR-UHFFFAOYSA-N
XLogP2.64
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine?
The IUPAC name of 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine (CID 170778324) is 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine.
What is the SMILES notation for 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine?
The canonical SMILES for 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine is COc1ccc(-c2cnn(C3CC(CCCN)C3)c2)nc1.
What is the InChIKey of 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine?
The InChIKey is MRECPMYLOLPDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-15-4-5-16(18-10-15)13-9-19-20(11-13)14-7-12(8-14)3-2-6-17/h4-5,9-12,14H,2-3,6-8,17H2,1H3.
What are the key properties of 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine?
3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-methoxy-2-pyridinyl)pyrazol-1-yl]cyclobutyl]propan-1-amine is sourced from PubChem (CID 170778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).