(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine

C14H19ClN4 — CID 107503108

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cc(C)nc(C)c1
InChIInChI=1S/C14H19ClN4/c1-4-5-19-14(12(15)8-17-19)13(16)11-6-9(2)18-10(3)7-11/h6-8,13H,4-5,16H2,1-3H3
InChIKeyPNKHLMHPKZANIX-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.01
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine (PubChem CID 107503108) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
PubChem CID107503108
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cc(C)nc(C)c1
InChIInChI=1S/C14H19ClN4/c1-4-5-19-14(12(15)8-17-19)13(16)11-6-9(2)18-10(3)7-11/h6-8,13H,4-5,16H2,1-3H3
InChIKeyPNKHLMHPKZANIX-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(2,6-dimethyl-4-pyridinyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107503284
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 105042604
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine (CID 107503108) is (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine is CCCn1ncc(Cl)c1C(N)c1cc(C)nc(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine?
The InChIKey is PNKHLMHPKZANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-5-19-14(12(15)8-17-19)13(16)11-6-9(2)18-10(3)7-11/h6-8,13H,4-5,16H2,1-3H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine has a molecular weight of 278.79 g/mol, XLogP of 3.01, 4 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)-(2,6-dimethyl-4-pyridinyl)methanamine is sourced from PubChem (CID 107503108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).