1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine

C9H9ClN4 — CID 165479511

IUPAC1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2cncc(Cl)c2)c1
InChIInChI=1S/C9H9ClN4/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5,11H2
InChIKeyIEXXLBKLGNZGFH-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.56
Rot. Bonds2

About 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine

1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 165479511) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
PubChem CID165479511
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2cncc(Cl)c2)c1
InChIInChI=1S/C9H9ClN4/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5,11H2
InChIKeyIEXXLBKLGNZGFH-UHFFFAOYSA-N
XLogP1.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine (CID 165479511) is 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine is Nc1cnn(Cc2cncc(Cl)c2)c1.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is IEXXLBKLGNZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-8-1-7(2-12-3-8)5-14-6-9(11)4-13-14/h1-4,6H,5,11H2.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine?
1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 165479511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).