1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C16H15ClN4 — CID 114927449

IUPAC1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(-n2cc(-c3ccccc3)cn2)ncc1Cl
InChIInChI=1S/C16H15ClN4/c1-18-8-13-7-16(19-10-15(13)17)21-11-14(9-20-21)12-5-3-2-4-6-12/h2-7,9-11,18H,8H2,1H3
InChIKeyRRBBRHHLTGXRCI-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.31
Rot. Bonds4

About 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114927449) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID114927449
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(-n2cc(-c3ccccc3)cn2)ncc1Cl
InChIInChI=1S/C16H15ClN4/c1-18-8-13-7-16(19-10-15(13)17)21-11-14(9-20-21)12-5-3-2-4-6-12/h2-7,9-11,18H,8H2,1H3
InChIKeyRRBBRHHLTGXRCI-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 114927449) is 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1cc(-n2cc(-c3ccccc3)cn2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is RRBBRHHLTGXRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-18-8-13-7-16(19-10-15(13)17)21-11-14(9-20-21)12-5-3-2-4-6-12/h2-7,9-11,18H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 298.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114927449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).