1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine

C13H15ClN4 — CID 62490733

IUPAC1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(-n2ccc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C13H15ClN4/c1-15-8-12-10(14)4-5-13(16-12)18-7-6-11(17-18)9-2-3-9/h4-7,9,15H,2-3,8H2,1H3
InChIKeyNMCBNIKZEHJDBD-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62490733) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
PubChem CID62490733
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(-n2ccc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C13H15ClN4/c1-15-8-12-10(14)4-5-13(16-12)18-7-6-11(17-18)9-2-3-9/h4-7,9,15H,2-3,8H2,1H3
InChIKeyNMCBNIKZEHJDBD-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine (CID 62490733) is 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine is CNCc1nc(-n2ccc(C3CC3)n2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is NMCBNIKZEHJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-15-8-12-10(14)4-5-13(16-12)18-7-6-11(17-18)9-2-3-9/h4-7,9,15H,2-3,8H2,1H3.
What are the key properties of 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 262.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).