(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C12H18ClN5 — CID 102812843

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1c(Cl)cnn1CC
InChIInChI=1S/C12H18ClN5/c1-4-10-8(7-17(3)16-10)11(14)12-9(13)6-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3
InChIKeyBJTFSWHEENEYQD-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.90
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 102812843) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID102812843
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1c(Cl)cnn1CC
InChIInChI=1S/C12H18ClN5/c1-4-10-8(7-17(3)16-10)11(14)12-9(13)6-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3
InChIKeyBJTFSWHEENEYQD-UHFFFAOYSA-N
XLogP1.90
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812858
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105183128
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-dimethylpyrazol-4-yl)methanamine
CID 102804643
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
CID 114651502
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 102812843) is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1C(N)c1c(Cl)cnn1CC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is BJTFSWHEENEYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-4-10-8(7-17(3)16-10)11(14)12-9(13)6-15-18(12)5-2/h6-7,11H,4-5,14H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 267.76 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 102812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).