(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine

C12H15ClN4 — CID 114651502

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1cccc(C)n1
InChIInChI=1S/C12H15ClN4/c1-3-17-12(9(13)7-15-17)11(14)10-6-4-5-8(2)16-10/h4-7,11H,3,14H2,1-2H3
InChIKeyCBCOFDKJXDYYKS-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.31
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine (PubChem CID 114651502) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
PubChem CID114651502
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
SMILESCCn1ncc(Cl)c1C(N)c1cccc(C)n1
InChIInChI=1S/C12H15ClN4/c1-3-17-12(9(13)7-15-17)11(14)10-6-4-5-8(2)16-10/h4-7,11H,3,14H2,1-2H3
InChIKeyCBCOFDKJXDYYKS-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
(6-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974068
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105040696
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 114650316

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine (CID 114651502) is (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine is CCn1ncc(Cl)c1C(N)c1cccc(C)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is CBCOFDKJXDYYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-17-12(9(13)7-15-17)11(14)10-6-4-5-8(2)16-10/h4-7,11H,3,14H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 114651502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).