(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine

C14H19ClN4 — CID 114659896

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccncc1CC
InChIInChI=1S/C14H19ClN4/c1-3-7-19-14(12(15)9-18-19)13(16)11-5-6-17-8-10(11)4-2/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyOYZQKLARBRUTTP-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.95
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine (PubChem CID 114659896) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
PubChem CID114659896
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccncc1CC
InChIInChI=1S/C14H19ClN4/c1-3-7-19-14(12(15)9-18-19)13(16)11-5-6-17-8-10(11)4-2/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyOYZQKLARBRUTTP-UHFFFAOYSA-N
XLogP2.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(3-ethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114659898
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(3-ethyl-4-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 114688955
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703
[(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263746

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine (CID 114659896) is (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine is CCCn1ncc(Cl)c1C(N)c1ccncc1CC.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine?
The InChIKey is OYZQKLARBRUTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-7-19-14(12(15)9-18-19)13(16)11-5-6-17-8-10(11)4-2/h5-6,8-9,13H,3-4,7,16H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine has a molecular weight of 278.79 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114659896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).