N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine

C12H14N4 — CID 62293253

IUPACN-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(-n2cccn2)c1
InChIInChI=1S/C12H14N4/c1-3-11(9-13-10-5-6-10)15-12(4-1)16-8-2-7-14-16/h1-4,7-8,10,13H,5-6,9H2
InChIKeyTULBDXWMEWEWDQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds4

About N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine

N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine (PubChem CID 62293253) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
PubChem CID62293253
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(-n2cccn2)c1
InChIInChI=1S/C12H14N4/c1-3-11(9-13-10-5-6-10)15-12(4-1)16-8-2-7-14-16/h1-4,7-8,10,13H,5-6,9H2
InChIKeyTULBDXWMEWEWDQ-UHFFFAOYSA-N
XLogP1.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine (CID 62293253) is N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine is c1cc(CNC2CC2)nc(-n2cccn2)c1.
What is the InChIKey of N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine?
The InChIKey is TULBDXWMEWEWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-3-11(9-13-10-5-6-10)15-12(4-1)16-8-2-7-14-16/h1-4,7-8,10,13H,5-6,9H2.
What are the key properties of N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine?
N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine has a molecular weight of 214.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62293253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).