(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C11H13ClN4O — CID 103443925

IUPAC(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ncccc1Cl
InChIInChI=1S/C11H13ClN4O/c1-16-11(8(17-2)6-15-16)9(13)10-7(12)4-3-5-14-10/h3-6,9H,13H2,1-2H3
InChIKeyWLQQKXVTDZUVRL-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.53
Rot. Bonds3

About (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine

(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 103443925) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID103443925
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1ncccc1Cl
InChIInChI=1S/C11H13ClN4O/c1-16-11(8(17-2)6-15-16)9(13)10-7(12)4-3-5-14-10/h3-6,9H,13H2,1-2H3
InChIKeyWLQQKXVTDZUVRL-UHFFFAOYSA-N
XLogP1.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(3-methyl-2-pyridinyl)methanamine
CID 114648978
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(3-ethyl-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645343
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114646649
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 103443925) is (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is WLQQKXVTDZUVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-16-11(8(17-2)6-15-16)9(13)10-7(12)4-3-5-14-10/h3-6,9H,13H2,1-2H3.
What are the key properties of (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 252.71 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 103443925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).